SCHEMBL1605685

SCHEMBL1605685

Cc1cc(Cn2c(-c3cccnc3)c(C)c3cc(Cl)ccc32)cc(C)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.49
PTGES2 Q9H7Z7 5/20 0.49
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAOA P21397 1/20 0.41
TACR1 P25103 1/20 0.41
PTGES O14684 1/20 0.41
PPARG P37231 4/20 0.41
CCR2 P41597 1/20 0.40
SOS1 Q07889 1/20 0.39
MAPT P10636 1/20 0.39
DHODH Q02127 1/20 0.39

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
SCHEMBL1604861 0.89 ALDH1A1 (0.45) TBXAS1PTGES2CYP11B1CYP11B2MAOA
SCHEMBL27830522 0.89 TBXAS1 (0.53) TBXAS1PTGES2CYP11B1CYP11B2MAOA
SCHEMBL1606572 0.88 PTGES2 (0.52) TBXAS1PTGES2PTGESPPARG
Hydrochloric Acid SCHEMBL11006604 0.87 PTGES2 (0.51) TBXAS1PTGES2PTGESPPARG
SCHEMBL1604760 0.86 CCR2 (0.51) TBXAS1PTGES2TACR1PPARGCCR2
SCHEMBL1606190 0.82 DRD2 (0.51) TBXAS1PTGES2CYP11B1CYP11B2PPARG
SCHEMBL28106976 0.82 TBXAS1 (0.49) TBXAS1PTGES2CYP11B1CYP11B2MAOA
SCHEMBL1606071 0.81 TBXAS1 (0.64) TBXAS1PTGES2CYP11B1CYP11B2MAOA
SCHEMBL1604870 0.80 PTGES2 (0.46) TBXAS1PTGES2CYP11B1CYP11B2MAOA
SCHEMBL1605604 0.80 TBXAS1 (0.48) TBXAS1PTGES2CYP11B1CYP11B2MAOA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US claimed
CN-104193725-B Organic compound 诺华股份有限公司 2016-11-16 CN disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1987/4885PTGES2 474/4885CYP11B1 14/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1987/4885PTGES2 474/4885CYP11B1 14/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1766/4885PTGES2 538/4885CYP11B1 15/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1766/4885PTGES2 538/4885CYP11B1 15/4885

“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.