SCHEMBL16117678

SCHEMBL16117678

COc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ HPGD P15428 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HTR2A P28223 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.39
▸ CRHR1 P34998 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.37
▸ S1PR2 O95136 1/20 0.37

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
SCHEMBL16117677 0.78 ALDH1A1 (0.48) HPGDLMNATP53CYP3A4ALOX15
SCHEMBL803017 0.77 TRPV4 (0.56) ERBB2EGFRHPGDLMNATP53
SCHEMBL20692608 0.77 ALDH1A1 (0.50) HPGDLMNAHTR2AALDH1A1KDM4E
SCHEMBL803640 0.77 LMNA (0.54) ERBB2EGFRHPGDLMNATP53
SCHEMBL16098619 0.77 ALDH1A1 (0.39) HPGDLMNAHTR2AALDH1A1KDM4E
SCHEMBL16093812 0.77 GAA (0.52) TP53CYP3A4ALDH1A1KDM4EPOLB
SCHEMBL25052896 0.77 TP53 (0.55) HPGDLMNATP53CYP3A4ALOX15
SCHEMBL14285750 0.75 LMNA (0.59) HPGDLMNATP53CYP3A4ALOX15
SCHEMBL19997093 0.74 LPAR1 (0.40) HPGDLMNATP53ALDH1A1KDM4E
SCHEMBL16117936 0.73 MDM2 (0.40) HPGDLMNAHTR2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 — — US disclosed
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2019-08-29 — — US disclosed
US-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 — — US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 — — US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 — — US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 — — US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 — — US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 — — US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 — — US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 — — 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 (7 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-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ERBB2 491/4885EGFR 966/4885HPGD 1067/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ERBB2 491/4885EGFR 966/4885HPGD 1067/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ERBB2 491/4885EGFR 966/4885HPGD 1067/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ERBB2 45/4885EGFR 16/4885HPGD 2042/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS ERBB2 491/4885EGFR 966/4885HPGD 1067/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ERBB2 45/4885EGFR 16/4885HPGD 2042/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS ERBB2 491/4885EGFR 966/4885HPGD 1067/4885

“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.

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