SCHEMBL14811706

SCHEMBL14811706

COc1ccc(CC(Br)NC(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.52
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL7439577 0.84 KLK5 (0.54) LDHAMTNR1AMTNR1BKDM4EKMT2A
SCHEMBL29726545 0.84 LDHA (0.58) LDHAITGA4ITGB7CTSSCTSK
SCHEMBL2675545 0.84 LDHA (0.58) LDHAITGA4ITGB7CTSSCTSK
SCHEMBL3814635 0.84 LDHA (0.58) LDHAITGA4ITGB7CTSSCTSK
SCHEMBL12485634 0.84 LDHA (0.51) LDHAMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL10771141 0.84 LDHA (0.51) LDHAMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL12485304 0.82 LDHA (0.50) LDHAMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL11300831 0.82 LDHA (0.59) LDHAALDH1A1ALOX15ALOX12NPC1
SCHEMBL3152909 0.81 CACNA1B (0.51) CTSSCTSK
SCHEMBL13190943 0.81 LDHA (0.48) LDHAMTNR1AMTNR1BKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155259-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2018-12-18 US disclosed
EP-2763986-B1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (NL) 2017-06-07 EP disclosed
US-20150329545-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2015-11-19 US disclosed
US-9127007-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2015-09-08 US disclosed
US-20140350043-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2014-11-27 US disclosed
EP-2763986-A1 FSH RECEPTOR ANTAGONISTS Merck Sharp & Dohme B.V. (NL) 2014-08-13 EP disclosed
WO-2013041458-A1 FSH RECEPTOR ANTAGONISTS MSD OSS B.V. (NL) 2013-03-28 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 (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-20140350043-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR LDHA 3264/4885MTNR1A 74/4885MTNR1B 86/4885
US-10155259-B2 FSH receptor antagonists FSHR, GNRHR, LHCGR LDHA 3614/4885MTNR1A 85/4885MTNR1B 93/4885
US-20150329545-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR LDHA 3614/4885MTNR1A 85/4885MTNR1B 93/4885

“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.