SCHEMBL16098982

SCHEMBL16098982

COc1cc(Cl)c(C2(C)CC2)cc1NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.42
▸ PTGDR Q13258 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ MET P08581 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ FECH P22830 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL16094150 0.85 KRAS (0.40) KRASSMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL21458770 0.83 KRAS (0.54) KRASPTGDRPTGDR2TSHRALDH1A1
SCHEMBL16122887 0.82 ALDH1A1 (0.48) SMN1; SMN2TSHRALDH1A1LMNAL3MBTL1
SCHEMBL19997031 0.82 KMT2A (0.41) KRASSMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL16093843 0.80 TSHR (0.46) SMN1; SMN2TSHRALDH1A1LMNAMEN1
SCHEMBL16099662 0.78 KRAS (0.65) KRASALDH1A1KMT2AKDM4E
SCHEMBL16113642 0.77 SMN1; SMN2 (0.43) SMN1; SMN2TSHRALDH1A1LMNAL3MBTL1
SCHEMBL16122658 0.77 SMN1; SMN2 (0.43) SMN1; SMN2TSHRALDH1A1LMNAL3MBTL1
SCHEMBL16122587 0.76 SMN1; SMN2 (0.39) SMN1; SMN2TSHRALDH1A1LMNAL3MBTL1
SCHEMBL22560928 0.75 SMN1; SMN2 (0.42) SMN1; SMN2TSHRALDH1A1LMNAL3MBTL1

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-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-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
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 — — WO disclosed
EP-2970121-A1 COVALENT INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2016-01-20 — — EP disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 — — US disclosed
WO-2014152588-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2014-09-25 — — WO 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 KRAS 1/4885PTGDR 2205/4885PTGDR2 2356/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885PTGDR 2205/4885PTGDR2 2356/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885PTGDR 2205/4885PTGDR2 2356/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KRAS 1/4885PTGDR 3549/4885PTGDR2 3200/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS KRAS 1/4885PTGDR 2205/4885PTGDR2 2356/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KRAS 1/4885PTGDR 3549/4885PTGDR2 3200/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS KRAS 1/4885PTGDR 2205/4885PTGDR2 2356/4885

“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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