SCHEMBL4851635

SCHEMBL4851635

Cc1cccc(CCOS(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
IDO1 P14902 2/20 0.44
ALOX5 P09917 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
DAO P14920 3/20 0.42
XIAP P98170 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 1/20 0.41
CTBP2 P56545 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
NR3C1 P04150 1/20 0.40
F2 P00734 1/20 0.39
LMNA P02545 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
SCHEMBL5761353 0.90 TAAR1 (0.47) TAAR1IDO1ALOX5HRH3DAO
SCHEMBL15042385 0.83 CA2 (0.43) ALOX5CA1CA2CA9XIAP
SCHEMBL5644026 0.82 IDO1 (0.56) TAAR1IDO1CA1CA2CA9
SCHEMBL23782510 0.82 MMP9 (0.43) CA1CA2CA9ALDH1A1NR3C1
SCHEMBL16666444 0.81 CA1 (0.42) TAAR1ALOX5CA1CA2CA9
SCHEMBL2284428 0.81 TAAR1 (0.49) TAAR1IDO1CA1CA2CA9
SCHEMBL2878336 0.81 TAAR1 (0.49) TAAR1IDO1CA1CA2CA9
SCHEMBL1246000 0.81 CYP4F2 (0.47) ALOX5CA1CA2CA9ALDH1A1
SCHEMBL858115 0.81 TAAR1 (0.49) TAAR1IDO1ALOX5CA1CA2
SCHEMBL2881422 0.81 IDO1 (0.43) IDO1CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322657-A1 CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST AND METHODS OF MAKING SANOFI (FR) 2023-10-12 US disclosed
US-20230322657-A1 CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST AND METHODS OF MAKING SANOFI (FR) 2023-10-12 US disclosed
US-20230295073-A1 PROCESS OF MAKING A CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST HORIZON THERAPEUTICS IRELAND DAC (IE) 2023-09-21 US disclosed
US-20230295073-A1 PROCESS OF MAKING A CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST HORIZON THERAPEUTICS IRELAND DAC (IE) 2023-09-21 US disclosed
WO-2023166346-A1 PROCESS OF MAKING A CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST HORIZON THERAPEUTICS IRELAND DAC (IE) 2023-09-07 WO disclosed
US-20220064105-A1 CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST AND METHODS OF MAKING SANOFI (FR) 2022-03-03 US disclosed
WO-2022043755-A2 CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST AND METHODS OF MAKING SANOFI (FR) 2022-03-03 WO disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
EP-0714894-A1 3-(1,2,3,6-tetrahydro-(1-alkylenearyl)-4-pyridinyl)- and 3-(1-alkylenearyl)-4-piperidinyl-1h-indoles: new 5-HT1f agonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed
US-5521197-A ANALGESICS USING SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1996-05-28 US disclosed
EP-0256888-B1 BENZOTHIAZEPINE VASODILATORS HAVING ARALKYL SUBSTITUTION McNeilab, Inc. (US) 1991-07-03 EP disclosed
EP-0163416-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed
US-4751240-A ANTIFERTILITY AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-06-14 US disclosed
US-4729994-A Benzothiazepine vasodilators having aralkyl substitution MCNEILAB, INC. (US) 1988-03-08 US disclosed
EP-0163416-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 EP 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885IDO1 559/4885ALOX5 2104/4885
US-20220064105-A1 CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST AND METHODS OF MAKING EDNRA, EDNRB, FFAR2 TAAR1 370/4885IDO1 662/4885ALOX5 940/4885
US-20230322657-A1 CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST AND METHODS OF MAKING EDNRA, FFAR2, EDNRB TAAR1 323/4885IDO1 892/4885ALOX5 842/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885IDO1 559/4885ALOX5 2104/4885
US-20230295073-A1 PROCESS OF MAKING A CRYSTALLINE EDG-2 RECEPTOR ANTAGONIST EDNRA, EDNRB, FFAR2 TAAR1 181/4885IDO1 589/4885ALOX5 1200/4885

“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.