SCHEMBL4701077

SCHEMBL4701077

COC(=O)c1cccc(-c2ccc(O)c(C)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.68
HSD17B1 P14061 3/20 0.64
HSD17B2 P37059 3/20 0.64
CA12 O43570 3/20 0.61
CA9 Q16790 3/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA7 P43166 1/20 0.53
XDH P47989 1/20 0.53
CA14 Q9ULX7 1/20 0.53
ESR2 Q92731 1/20 0.53
EGFR P00533 1/20 0.52
PLAU P00749 2/20 0.52
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
CDK8 P49336 1/20 0.49

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
SCHEMBL30350436 0.87 CA12 (0.60) ERN1CA12CA9CA1CA2
SCHEMBL12777036 0.87 CA12 (0.60) ERN1CA12CA9CA1CA2
SCHEMBL498118 0.85 ERN1 (0.65) ERN1HSD17B1HSD17B2CA12CA9
SCHEMBL67941 0.85 CA12 (0.68) ERN1CA12CA9CA1CA2
SCHEMBL4703171 0.83 ERN1 (0.56) ERN1CA12CA9CA1CA2
SCHEMBL1179233 0.83 ERN1 (0.66) ERN1CA12CA9CA1CA2
SCHEMBL27362614 0.83 CA12 (0.56) ERN1CA12CA9CA1CA2
SCHEMBL27715902 0.83 CA12 (0.71) ERN1CA12CA9CA1CA2
SCHEMBL20056514 0.82 HSD17B1 (0.69) HSD17B1HSD17B2ESR2
SCHEMBL1661764 0.82 CA12 (0.66) ERN1CA12CA9CA1CA2

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
EP-2970353-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-04-18 EP disclosed
EP-2970353-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-04-18 EP disclosed
US-9890176-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-02-13 US disclosed
US-9890176-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-02-13 US disclosed
WO-2014165107-A2 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-09 WO disclosed
US-20140274930-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 US disclosed
US-20140274930-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 US disclosed
EP-1506195-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2008-10-29 EP disclosed
EP-1506195-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-02-16 EP disclosed
US-6806265-B2 FOR THERAPY AND PROPHYLAXIS OF HIV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-19 US disclosed
US-20040006071-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2004-01-08 US disclosed
WO-2003097644-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-11-27 WO 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-20040006071-A1 Non-nucleoside reverse transcriptase inhibitors CBR1, POLR2H, SUB1 ERN1 184/4885HSD17B1 75/4885HSD17B2 194/4885
US-20140274930-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS TLR5, TLR1, MANBA ERN1 3318/4885HSD17B1 2789/4885HSD17B2 3345/4885

“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.