SCHEMBL855066

SCHEMBL855066

Cc1cc(C)n(CCC(=O)O)n1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.81
LMNA P02545 2/20 0.68
GLS O94925 1/20 0.56
POLB P06746 2/20 0.56
APAF1 O14727 1/20 0.56
MAPK1 P28482 1/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.52
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL4573076 0.85 KDM4E (0.65) KDM4ELMNAGLSPOLBAPAF1
SCHEMBL21093388 0.82 KDM4E (0.61) KDM4ELMNAGLSPOLBAPAF1
SCHEMBL9696618 0.82 KDM4E (0.57) KDM4ELMNAPOLBAPAF1MAPK1
SCHEMBL113242 0.81 LMNA (1.00) KDM4ELMNAGLSPOLBAPAF1
SCHEMBL8270927 0.81 KDM4E (0.59) KDM4ELMNAGLSPOLBKMT2A
SCHEMBL22932731 0.80 KDM4E (0.71) KDM4ELMNAGLSPOLBAPAF1
SCHEMBL23954030 0.80 KDM4E (0.54) KDM4ELMNAPOLBAPAF1MAPK1
SCHEMBL21806760 0.80 KDM4E (0.58) KDM4ELMNAGLSPOLBKMT2A
SCHEMBL17489160 0.80 GLS (0.75) KDM4ELMNAGLSPOLBAPAF1
SCHEMBL18141977 0.79 KDM4E (0.61) KDM4ELMNAGLSPOLBAPAF1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11560357-B2 Methods of producing pyrazole compounds TORRENT PHARMACEUTICALS LIMITED (IN) 2023-01-24 US disclosed
US-20220033358-A1 METHODS OF PRODUCING PYRAZOLE COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2022-02-03 US disclosed
US-11155567-B2 Sting agonist compounds and methods of use MERSANA THERAPEUTICS, INC. (US) 2021-10-26 US disclosed
CN-113166069-A Process for producing pyrazole compound 托伦特药物有限公司 2021-07-23 CN disclosed
US-20210032269-A1 STING AGONIST COMPOUNDS AND METHODS OF USE MERSANA THERAPEUTICS, INC. 2021-02-04 US disclosed
CN-102414168-B Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD 2014-05-21 CN disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
CN-102414168-A Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD 2012-04-11 CN disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO 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 (5 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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 KDM4E 4642/4885LMNA 2368/4885GLS 3998/4885
US-11560357-B2 Methods of producing pyrazole compounds TPO, TSHR, PDXK KDM4E 1216/4885LMNA 3404/4885GLS 1733/4885
US-11155567-B2 Sting agonist compounds and methods of use STING1, IRF3, MAVS KDM4E 3706/4885LMNA 2038/4885GLS 821/4885
US-20210032269-A1 STING AGONIST COMPOUNDS AND METHODS OF USE STING1, IRF3, MAVS KDM4E 3706/4885LMNA 2038/4885GLS 821/4885
US-20220033358-A1 METHODS OF PRODUCING PYRAZOLE COMPOUNDS TPO, TSHR, PDXK KDM4E 1216/4885LMNA 3404/4885GLS 1733/4885

“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.