SCHEMBL20180974

SCHEMBL20180974

CCc1cc(O)cc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.56
HPGD P15428 6/20 0.56
CYP3A4 P08684 5/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
CHRM1 P11229 2/20 0.41
ALOX15 P16050 2/20 0.41
TBXA2R P21731 2/20 0.41
ADRA1A P35348 2/20 0.41
HTR2B P41595 2/20 0.41
MAOA P21397 1/20 0.41
TSHR P16473 5/20 0.39
CASP1 P29466 1/20 0.39
PTPN1 P18031 1/20 0.36
PTPN11 Q06124 1/20 0.36
HSP90AA1 P07900 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.35
PTGS1 P23219 2/20 0.35
DRD3 P35462 2/20 0.35

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
SCHEMBL10490354 0.88 CYP3A4 (0.46) HSD17B10HPGDCYP3A4CRHBPCRHR2
SCHEMBL14532929 0.82 PTPN1 (0.44) HSD17B10HPGDCYP3A4CRHBPCRHR2
SCHEMBL26506104 0.82 HSD17B10 (0.44) HSD17B10HPGDCYP3A4CRHBPCRHR2
SCHEMBL69281 0.81 HSD17B10 (0.62) HSD17B10HPGDCYP3A4CRHBPCRHR2
SCHEMBL28803367 0.80 CYP3A4 (0.62) HSD17B10HPGDCYP3A4CRHBPCRHR2
SCHEMBL22106260 0.77 CYP3A4 (0.39) HSD17B10HPGDCYP3A4CRHBPCRHR2
SCHEMBL27060230 0.77 CYP3A4 (0.39) HSD17B10HPGDCYP3A4CRHBPCRHR2
SCHEMBL7995859 0.77 PTGS2 (0.53) HSD17B10HPGDCYP3A4CRHBPCRHR2
SCHEMBL7994866 0.77 PTGS2 (0.53) HSD17B10HPGDCYP3A4CRHBPCRHR2
SCHEMBL7994963 0.77 PTGS2 (0.53) HSD17B10HPGDCYP3A4CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US disclosed
WO-2018119183-A2 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 WO disclosed
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2018-05-24 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 (2 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-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HSD17B10 3938/4885HPGD 1826/4885CYP3A4 4770/4885
US-20180141927-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS HSD17B10 4539/4885HPGD 3568/4885CYP3A4 3277/4885

“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.