SCHEMBL9004549

SCHEMBL9004549

CC(C)=CC(=O)CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.33
PTPN1 P18031 1/20 0.33
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11921840 0.82 HTT (0.33) HTTSMN1; SMN2
SCHEMBL27726657 0.82 HMGCR (0.35) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL20937487 0.80 HPGD (0.32)
SCHEMBL25933609 0.78 ALDH1A1 (0.33) TSHR
SCHEMBL13105063 0.77 HMGCR (0.35) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL24535254 0.77 PTPN1 (0.30) STAT3PTPN1
SCHEMBL13877935 0.77 ALOX15 (0.32) STAT3PTPN1ALOX15TSHR
SCHEMBL11235250 0.77 PTPN1 (0.30) STAT3PTPN1
SCHEMBL9004553 0.75 STAT3 (0.32) STAT3ALOX15TSHR
SCHEMBL28568122 0.75 PTPN1 (0.46) STAT3PTPN1ALOX15TSHRHMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 US disclosed
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2020-05-14 US disclosed
US-10538509-B2 Decarboxylative cross-coupling and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-01-21 US disclosed
US-10023588-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-17 US disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 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 (16 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 STAT3 4734/4885PTPN1 2938/4885F2 625/4885
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS STAT3 473/4885PTPN1 1645/4885F2 4159/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 STAT3 3812/4885PTPN1 1601/4885F2 4424/4885
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 STAT3 4478/4885PTPN1 3077/4885F2 577/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS STAT3 473/4885PTPN1 1645/4885F2 4159/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC STAT3 2417/4885PTPN1 776/4885F2 1025/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 STAT3 4734/4885PTPN1 2938/4885F2 625/4885
US-10538509-B2 Decarboxylative cross-coupling and applications thereof PPOX, DDC, DDO STAT3 3102/4885PTPN1 4851/4885F2 517/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 STAT3 4734/4885PTPN1 2938/4885F2 625/4885
US-10023588-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS STAT3 473/4885PTPN1 1645/4885F2 4159/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK STAT3 1003/4885PTPN1 668/4885F2 3927/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS STAT3 473/4885PTPN1 1645/4885F2 4159/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC STAT3 2417/4885PTPN1 776/4885F2 1025/4885
US-10662195-B2 Protein kinase conjugates and inhibitors MAP3K20, ADK, TTK STAT3 1183/4885PTPN1 1265/4885F2 4470/4885
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC STAT3 3232/4885PTPN1 4866/4885F2 433/4885
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS STAT3 473/4885PTPN1 1645/4885F2 4159/4885

“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.