SCHEMBL16122887

SCHEMBL16122887

COc1cc(Cl)c(Cl)cc1NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ MET P08581 1/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ FECH P22830 1/20 0.43
▸ CLK3 P49761 1/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL16122586 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL16122658 0.88 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL16113642 0.88 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL16121828 0.85 THRB (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL22560928 0.85 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL16098982 0.82 KRAS (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL16129117 0.82 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL16093660 0.82 KMT2A (0.47) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL17634278 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL16122587 0.81 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3401314-B1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-11-08 — — EP disclosed
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 — — US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 — — US disclosed
CN-105189456-B Covalent inhibitors of KRAS G12C 亚瑞克西斯制药公司 2017-12-19 — — CN disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 — — US disclosed
WO-2016049565-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2016-03-31 — — WO 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 (3 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 ALDH1A1 2706/4885SMN1; SMN2 3761/4885KDM4E 1936/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885SMN1; SMN2 3761/4885KDM4E 1936/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885SMN1; SMN2 3761/4885KDM4E 1936/4885

“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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