SCHEMBL226335

SCHEMBL226335

CON(C)C(=O)c1ccc(B(O)O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.36
MLYCD O95822 1/20 0.36
GPR119 Q8TDV5 6/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ENPP2 Q13822 2/20 0.33
CPS1 P31327 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29955871 0.88 TRPM8 (0.36) PIK3CAMTORTRPM8MLYCDCLK1
SCHEMBL29954754 0.84 KMT2A (0.40) PIK3CAMTORCES2CES1
SCHEMBL875274 0.84 KMT2A (0.40) PIK3CAMTORCES2CES1
SCHEMBL6710893 0.81 CES2 (0.53) PIK3CAMTORTRPM8MLYCDCPS1
SCHEMBL23003420 0.80 PDK2 (0.42) PIK3CAMTORTRPM8MLYCDGPR119
SCHEMBL29688875 0.80 PIK3CA (0.43) PIK3CAMTORMLYCDGPR119CLK1
SCHEMBL20982579 0.80 MLYCD (0.49) PIK3CAMTORTRPM8MLYCDGPR119
SCHEMBL12121067 0.80 PIK3CA (0.43) PIK3CAMTORMLYCDGPR119CLK1
SCHEMBL950219 0.79 RIPK1 (0.34) PIK3CAMTORCES2CES1
SCHEMBL24452660 0.78 PIK3CA (0.40) PIK3CAMTORTRPM8MLYCDGPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 US disclosed
US-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 US disclosed
US-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20210371460-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-12-02 US disclosed
US-20210371460-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-12-02 US disclosed
US-20200317730-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-10-08 US disclosed
US-20200317730-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-10-08 US disclosed
US-10751273-B2 Compounds for the treatment of pathologies associated with aging and degenerative disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-08-25 US disclosed
US-10751273-B2 Compounds for the treatment of pathologies associated with aging and degenerative disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-08-25 US disclosed
US-20120004263-A1 Compounds for the treatment of pathologies associated with aging and degenerative disorders UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-01-05 US disclosed
US-20110172214-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-07-14 US disclosed
US-20110172214-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-07-14 US disclosed
US-20110172214-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-07-14 US disclosed
US-20100035869-A1 TARGETED NITROXIDE AGENTS PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION, UNIVERSITY OF 2010-02-11 US disclosed
US-20100035869-A1 TARGETED NITROXIDE AGENTS PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION, UNIVERSITY OF 2010-02-11 US disclosed
US-20100035869-A1 TARGETED NITROXIDE AGENTS PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION, UNIVERSITY OF 2010-02-11 US disclosed
US-20090042808-A1 USE OF MITOCHONDRIA-TARGETED ELECTRON SCAVENGERS AS ANTI-INFLAMMATORY AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-12 US disclosed
US-20090042808-A1 USE OF MITOCHONDRIA-TARGETED ELECTRON SCAVENGERS AS ANTI-INFLAMMATORY AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-12 US disclosed
US-20090042808-A1 USE OF MITOCHONDRIA-TARGETED ELECTRON SCAVENGERS AS ANTI-INFLAMMATORY AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110172214-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY TXNRD2, TXN2, HSPE1 PIK3CA 4570/4885MTOR 3508/4885TRPM8 4723/4885
US-20120004263-A1 Compounds for the treatment of pathologies associated with aging and degenerative disorders GLA, AGER, SIRT1 PIK3CA 3948/4885MTOR 1913/4885TRPM8 2077/4885
US-20090042808-A1 USE OF MITOCHONDRIA-TARGETED ELECTRON SCAVENGERS AS ANTI-INFLAMMATORY AGENTS HAGH, COX5B, HSPE1 PIK3CA 4842/4885MTOR 2323/4885TRPM8 1858/4885
US-20200317730-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 PIK3CA 4627/4885MTOR 3643/4885TRPM8 4753/4885
US-20100035869-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 PIK3CA 4627/4885MTOR 3643/4885TRPM8 4753/4885
US-10751273-B2 Compounds for the treatment of pathologies associated with aging and degenerative disorders GLA, AGER, SIRT1 PIK3CA 3948/4885MTOR 1913/4885TRPM8 2077/4885
US-20230144767-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 PIK3CA 4627/4885MTOR 3643/4885TRPM8 4753/4885
US-20210371460-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 PIK3CA 4627/4885MTOR 3643/4885TRPM8 4753/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.