Sugi Predict

Sugi Predict / Compounds / SCHEMBL8737008

SCHEMBL8737008

SCHEMBL8737008

Cc1ccc(C(CO)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.39
▸ CHRNA7 P36544 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ AR P10275 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ DRD1 P21728 1/20 0.37

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
SCHEMBL14256595 1.00 ACHE (0.41) ACHETAAR1CHRNA7STAT3ALOX5
SCHEMBL12872219 0.82 ESR1 (0.58) TAAR1TDP1LMNAESR1CYP1A2
SCHEMBL23086300 0.80 CHRNA7 (0.37) ACHECHRNA7STAT3TDP1LMNA
SCHEMBL6557220 0.80 PPARG (0.38) ACHECHRNA7TDP1LMNAESR1
SCHEMBL16673816 0.80 GSK3B (0.38) TAAR1TDP1LMNAESR1CYP1A2
SCHEMBL9908242 0.80 TRPA1 (0.52) TAAR1TDP1LMNAESR1CYP1A2
SCHEMBL12719089 0.80 ADRB2 (0.46) TAAR1TDP1CYP2D6CYP2C9SLC6A2
SCHEMBL9604739 0.80 TRPA1 (0.52) TAAR1TDP1LMNAESR1CYP1A2
SCHEMBL759880 0.79 TAAR1 (0.61) TAAR1LMNACHRM2CYP3A4CYP2D6
SCHEMBL9908239 0.79 TAAR1 (0.61) TAAR1LMNACHRM2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015116485-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-06 — — WO disclosed
US-8759337-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-06-24 — — US disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 — — US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 — — US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 — — US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 — — US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 — — US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 — — US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 — — US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 — — US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 — — US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 — — US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 — — US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 — — US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 — — 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 (11 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ACHE 15/4885TAAR1 4120/4885CHRNA7 129/4885
US-20120232108-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ACHE 15/4885TAAR1 4215/4885CHRNA7 128/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP ACHE 11/4885TAAR1 4054/4885CHRNA7 63/4885
US-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ACHE 15/4885TAAR1 4215/4885CHRNA7 128/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ACHE 15/4885TAAR1 4110/4885CHRNA7 122/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP ACHE 11/4885TAAR1 4054/4885CHRNA7 63/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ACHE 13/4885TAAR1 4235/4885CHRNA7 160/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 ACHE 13/4885TAAR1 3710/4885CHRNA7 75/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ACHE 15/4885TAAR1 4083/4885CHRNA7 129/4885
US-20100298381-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSENEN ACHE 28/4885TAAR1 4371/4885CHRNA7 261/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ACHE 15/4885TAAR1 4120/4885CHRNA7 129/4885

“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.