SCHEMBL16117941

SCHEMBL16117941

COc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ TP53 P04637 1/20 0.54
▸ MRGPRX4 Q96LA9 2/20 0.51
▸ HPGD P15428 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.47
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ GRIK1 P39086 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL16102821 0.87 GAA (0.54) ALDH1A1HPGDKDM4ESMN1; SMN2GAA
SCHEMBL16102950 0.85 PRKAB2 (0.51) ALDH1A1TP53MRGPRX4HPGDKDM4E
SCHEMBL16094017 0.85 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ELCKFYN
SCHEMBL48961 0.82 MRGPRX4 (0.64) ALDH1A1TP53MRGPRX4HPGDKDM4E
SCHEMBL30100412 0.82 MRGPRX4 (0.64) ALDH1A1TP53MRGPRX4HPGDKDM4E
Hydrochloric Acid SCHEMBL7210817 0.80 MRGPRX4 (0.62) ALDH1A1TP53MRGPRX4HPGDKDM4E
SCHEMBL27989931 0.80 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ELCKFYN
SCHEMBL22984915 0.80 TSHR (0.49) ALDH1A1HPGDKDM4ETSHRSMN1; SMN2
SCHEMBL5783703 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4E
SCHEMBL927573 0.79 ALDH1A1 (0.62) ALDH1A1TP53MRGPRX4HPGDKDM4E

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 17 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
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 — — EP 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-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-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
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
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 (6 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 2706/4885TP53 7/4885MRGPRX4 3656/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885TP53 7/4885MRGPRX4 3656/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885TP53 7/4885MRGPRX4 3656/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885TP53 2/4885MRGPRX4 3232/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885TP53 2/4885MRGPRX4 3232/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885TP53 7/4885MRGPRX4 3656/4885

“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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