SCHEMBL2452507

SCHEMBL2452507

NC(=O)c1cc(O)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.52
GAA P10253 1/20 0.50
PARP1 P09874 1/20 0.44
DHODH Q02127 1/20 0.42
MAOB P27338 2/20 0.41
P2RX1 P51575 1/20 0.41
ATF1 P18846 1/20 0.40
NFKB1 P19838 1/20 0.40
NOTUM Q6P988 1/20 0.39
KMT2A Q03164 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CES1 P23141 1/20 0.38
PTGS1 P23219 1/20 0.38
MAPT P10636 1/20 0.37
MAP2K4 P45985 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 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
SCHEMBL627995 0.87 CES2 (0.67) CES2GAADHODHP2RX1ATF1
Hydrochloric Acid SCHEMBL4372326 0.85 CES2 (0.64) CES2GAADHODHP2RX1ATF1
Hydrochloric Acid SCHEMBL4027010 0.85 CES2 (0.64) CES2GAADHODHP2RX1ATF1
SCHEMBL29789615 0.82 CA12 (0.60) CES2GAAP2RX1RXRARXRB
SCHEMBL477824 0.82 CA12 (0.60) CES2GAAP2RX1RXRARXRB
SCHEMBL4472344 0.80 CES2 (0.52) CES2GAADHODHMAOBATF1
SCHEMBL477925 0.80 CES2 (0.52) CES2GAAP2RX1NOTUMKMT2A
SCHEMBL13131605 0.80 CA5A (0.61) CES2GAAMAOBP2RX1NOTUM
SCHEMBL17048542 0.80 CES2 (0.57) CES2GAADHODHP2RX1RXRA
SCHEMBL628456 0.80 CES2 (0.52) CES2GAAPARP1DHODHMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109195965-A The inhibitor that WDR5 protein-protein combines 普罗佩纶治疗公司 2019-01-11 CN claimed
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-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
CN-100548976-C The sulfone amide derivative that is used for the treatment of disease PFIZER LTD (US) 2009-10-14 CN disclosed
US-20090197912-A1 Sulfonamide Derivatives for the Treatment of Diseases BROWN ALAN DANIEL 2009-08-06 US disclosed
US-20090197912-A1 Sulfonamide Derivatives for the Treatment of Diseases BROWN ALAN DANIEL 2009-08-06 US disclosed
US-20080267970-A1 Sulfonamide Derivatives For The Treatment of Diseases BROWN ALAN DANIEL 2008-10-30 US disclosed
EP-1708991-B1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2007-10-17 EP disclosed
US-7244766-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-17 US disclosed
US-7244766-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-17 US disclosed
CN-1910143-A Sulfonamide derivatives for the treatment of diseases PFIZER LTD (US) 2007-02-07 CN disclosed
EP-1708991-A2 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-10-11 EP disclosed
WO-2005080313-A9 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2006-08-31 WO disclosed
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 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

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-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases SULT2A1, STS, SULT1A1 CES2 750/4885GAA 134/4885PARP1 3114/4885
US-20090197912-A1 Sulfonamide Derivatives for the Treatment of Diseases SULT2A1, STS, SULT1A1 CES2 750/4885GAA 134/4885PARP1 3114/4885
US-20050182091-A1 For therapy of asthma or chronic obstructive pulmonary disease (COPD) in a mammal LTC4S, LTB4R2, LTB4R CES2 2420/4885GAA 993/4885PARP1 2798/4885
US-20080267970-A1 Sulfonamide Derivatives For The Treatment of Diseases SULT2A1, STS, SULT1A1 CES2 750/4885GAA 134/4885PARP1 3114/4885

“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.