SCHEMBL957760

SCHEMBL957760

Cc1c(O)ccc(CC#N)c1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
TYR P14679 1/20 0.38
ESR1 P03372 6/20 0.33
ESR2 Q92731 6/20 0.33
NR3C1 P04150 2/20 0.33
PGR P06401 2/20 0.33
NR3C2 P08235 2/20 0.33
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
ENPP2 Q13822 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL7716799 0.82 TRPA1 (0.45) ARTRPA1ATMENPP2ALDH1A1
SCHEMBL31186853 0.82 TRPA1 (0.45) ARTRPA1ATMENPP2ALDH1A1
SCHEMBL1823374 0.78 MEN1 (0.34) ALDH1A1HPGDMEN1KMT2A
SCHEMBL15927438 0.75 ALDH1A1 (0.37) ALDH1A1HPGDMAPT
SCHEMBL4063406 0.75 TYR (0.44) TYRESR1ESR2NR3C1PGR
SCHEMBL28380698 0.75 ALDH1A1 (0.45) ENPP2ALDH1A1HPGDMEN1MAPT
SCHEMBL9301126 0.74 ESR1 (0.34) ESR1ESR2
SCHEMBL3076387 0.73 TRPA1 (0.46) TYRESR1ESR2TRPA1ALDH1A1
SCHEMBL3067521 0.73 AMY1A (0.53) ARTRPA1ALDH1A1HPGDMEN1
SCHEMBL4888228 0.73 TYR (0.47) TYRESR1ESR2NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
US-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases BROWN ALAN DANIEL 2010-10-28 US disclosed
US-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases BROWN ALAN DANIEL 2010-10-28 US disclosed
US-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases BROWN ALAN DANIEL 2010-10-28 US disclosed
US-7767715-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2010-08-03 US disclosed
US-7767715-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2010-08-03 US disclosed
US-7767715-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2010-08-03 US disclosed
WO-2005080313-A9 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2006-08-31 WO disclosed
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO disclosed
US-20050215590-A1 Formamide derivatives for the treatment of diseases PFIZER LIMITED (GB) 2005-09-29 US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO disclosed
WO-2005080313-A2 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO disclosed
US-20050182091-A1 For therapy of asthma or chronic obstructive pulmonary disease (COPD) in a mammal PFIZER INC. 2005-08-18 US disclosed
US-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-20 US disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 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 (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-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 AR 2700/4885TYR 55/4885ESR1 3235/4885
US-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases SULT2A1, STS, SULT1A1 AR 2859/4885TYR 800/4885ESR1 2341/4885
US-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 AR 3466/4885TYR 330/4885ESR1 3196/4885
US-20050182091-A1 For therapy of asthma or chronic obstructive pulmonary disease (COPD) in a mammal LTC4S, LTB4R2, LTB4R AR 2732/4885TYR 1294/4885ESR1 2256/4885
US-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 AR 2575/4885TYR 1184/4885ESR1 3153/4885

“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.