SCHEMBL10316072

SCHEMBL10316072

Nc1cc(C(=O)O)cc(F)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CA3 P07451 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
SELL P14151 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL4365047 0.84 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL2191755 0.84 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL4269298 0.83 CA12 (0.70) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL9064511 0.82 ALDH1A1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL18593254 0.82 CA5A (0.45) LMNACA5AMAPK1MAPTTDP1
Hydrochloric Acid SCHEMBL1144809 0.81 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL9787632 0.80 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL2810884 0.78 HCAR1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL1019170 0.78 HDAC1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL447702 0.78 KDM4E (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183224-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-06-15 US disclosed
EP-3724186-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2020-10-21 EP disclosed
US-20200308158-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 US disclosed
CN-111295383-A Benzoxazine derivatives useful as monoacylglycerol lipase inhibitors 豪夫迈·罗氏有限公司 2020-06-16 CN disclosed
WO-2019115660-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-06-20 WO disclosed
US-8492370-B2 Compounds and methods for their production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-23 US disclosed
EP-1973883-B1 NOVEL COMPOUNDS AND METHODS FOR THEIR PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2012-07-11 EP disclosed
US-20110160175-A1 18,21-Didesoxymacbecin Derivatives for the Treatment of Cancer MARTIN CHRISTINE 2011-06-30 US disclosed
US-20110021481-A1 Novel Compounds and Methods for Their Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
WO-2008056189-A1 18, 21-DIDESOXYMACBECIN DERIVATIVES FOR THE TREATMENT OF CANCER BIOTICA TECHNOLOGY LIMITED (GB) 2008-05-15 WO disclosed
WO-2008056188-A2 NOVEL COMPOUNDS AND METHODS FOR THEIR PRODUCTION BIOTICA TECHNOLOGY LIMITED (GB) 2008-05-15 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 (4 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-20230183224-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS LPL, LIPC, PNLIP CA12 4635/4885CA1 4730/4885CA2 3912/4885
US-20200308158-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS LPL, LIPC, PNLIP CA12 4635/4885CA1 4730/4885CA2 3912/4885
US-20110160175-A1 18,21-Didesoxymacbecin Derivatives for the Treatment of Cancer BCL3, CD22, MEN1 CA12 1666/4885CA1 3610/4885CA2 4518/4885
US-20110021481-A1 Novel Compounds and Methods for Their Production BCL6, BCL3, AQP4 CA12 3471/4885CA1 3205/4885CA2 3632/4885

“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.