SCHEMBL301271

SCHEMBL301271

CC(C)(C)c1ccc(C2CC2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.55
SLC6A2 P23975 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
HTT P42858 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NR2F2 P24468 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.46
EPHX2 P34913 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MAOA P21397 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL10288267 1.00 FFAR1 (0.55) FFAR1SLC6A2TRPV1HTTTDP1
SCHEMBL1474207 1.00 FFAR1 (0.55) FFAR1SLC6A2TRPV1HTTTDP1
SCHEMBL2778214 0.91 FFAR1 (0.48) FFAR1SLC6A2TRPV1HTTTDP1
SCHEMBL2778217 0.91 FFAR1 (0.48) FFAR1SLC6A2TRPV1HTTTDP1
SCHEMBL10692822 0.88 SLC6A2 (0.56) FFAR1SLC6A2TRPV1HTTTDP1
SCHEMBL9820868 0.86 TRPV1 (0.50) FFAR1SLC6A2TRPV1HTTTDP1
SCHEMBL12999402 0.84 HTT (0.51) FFAR1SLC6A2TRPV1HTTTDP1
SCHEMBL1474216 0.83 FFAR1 (0.50) FFAR1TRPV1EPHX2HRH3ALDH1A1
SCHEMBL23425321 0.82 FFAR1 (0.54) FFAR1EPHX2MAOA
SCHEMBL1799765 0.82 FFAR1 (0.54) FFAR1EPHX2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199920-B2 Antiviral drugs for treatment of arenavirus infection Kineta Four, LLC (US) 2015-12-01 US claimed
US-8492434-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES INC. (US) 2013-07-23 US claimed
US-20130165493-A1 Antiviral Drugs for Treatment of Arenavirus Infection Siga Technologies, Inc, (US) 2013-06-27 US claimed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
EP-2742029-B1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
EP-1861359-A1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN Pfizer, Inc. (US) 2007-12-05 EP disclosed
WO-2006097817-A9 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC (JP) 2006-12-07 WO disclosed
WO-2006103503-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-10-05 WO disclosed
WO-2006098554-A1 NOVEL COMPOUNDS, ISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-21 WO disclosed
WO-2006097817-A1 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC. (JP) 2006-09-21 WO disclosed
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER, INC. 2006-09-21 US disclosed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 US disclosed
EP-0188887-B1 TERTIARY AMINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-02 EP disclosed
EP-0188887-A1 Tertiary amine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-07-30 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 (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-20130165493-A1 Antiviral Drugs for Treatment of Arenavirus Infection GK, ZC3HAV1, GALK1 FFAR1 2719/4885SLC6A2 3601/4885TRPV1 2353/4885
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG FFAR1 4727/4885SLC6A2 4598/4885TRPV1 2135/4885
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 FFAR1 21/4885SLC6A2 679/4885TRPV1 104/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H FFAR1 1439/4885SLC6A2 215/4885TRPV1 42/4885

“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.