SCHEMBL10157729

SCHEMBL10157729

CCc1onc(OP)c1C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL10157747 0.82
SCHEMBL2612162 0.70
SCHEMBL7366104 0.64 HTR2A (0.37)
SCHEMBL14923174 0.64 CYP1A2 (0.33) PTGS1PTGS2
SCHEMBL22861185 0.64 S1PR1 (0.33) PTGS1PTGS2
SCHEMBL22518540 0.61 HCAR2 (0.43) PTGS1PTGS2
SCHEMBL12824830 0.59 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL6611601 0.58
SCHEMBL17624098 0.58
SCHEMBL9973960 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907104-B2 Synthesis of enone intermediate PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-12-09 US disclosed
US-20140179929-A1 SYNTHESIS OF ENONE INTERMEDIATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-26 US disclosed
US-8580969-B2 Synthesis of enone intermediate PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-11-12 US disclosed
US-20130217886-A1 SYNTHESIS OF ENONE INTERMEDIATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-08-22 US disclosed
US-8293920-B2 Synthesis of enone intermediate PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-10-23 US disclosed
US-20120029199-A1 SYNTHESIS OF ENONE INTERMEDIATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-02 US disclosed
US-7960559-B2 Synthesis of enone intermediate PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-14 US disclosed
US-20110009639-A1 SYNTHESIS OF ENONE INTERMEDIATE MYERS ANDREW G 2011-01-13 US disclosed
US-7763735-B2 modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-27 US disclosed
US-20090093640-A1 modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-09 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 (5 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-20130217886-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 PTGS1 1704/4885PTGS2 2171/4885
US-20110009639-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 PTGS1 1704/4885PTGS2 2171/4885
US-20090093640-A1 modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency TECR, TSN, TARS2 PTGS1 2885/4885PTGS2 3235/4885
US-20140179929-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 PTGS1 1704/4885PTGS2 2171/4885
US-20120029199-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 PTGS1 1704/4885PTGS2 2171/4885

“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.