SCHEMBL5207573

SCHEMBL5207573

FC(F)(F)c1cc(-c2cccs2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
MAPK1 P28482 3/20 0.50
TP53 P04637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
CCNE2 O96020 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
KDM4E B2RXH2 8/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.43
SDHB P21912 2/20 0.43
NPC1 O15118 1/20 0.43

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
Phenolsulphonic Acid SCHEMBL27515620 0.82 SMN1; SMN2 (0.67) SMN1; SMN2MAPK1TP53HSD17B10ALOX15
SCHEMBL6420160 0.76 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1TP53HSD17B10CCNE2
SCHEMBL6414035 0.74 SMN1; SMN2 (0.58) SMN1; SMN2HSD17B10KDM4EL3MBTL1HPGD
SCHEMBL1143192 0.74 SMN1; SMN2 (0.58) SMN1; SMN2HSD17B10CCNE2CCNE1CDK2
SCHEMBL6412005 0.74 SMN1; SMN2 (0.58) SMN1; SMN2HSD17B10ALOX15CCNE2CCNE1
SCHEMBL239535 0.72 MAPK1 (0.62) SMN1; SMN2MAPK1TP53HSD17B10ALOX15
SCHEMBL18279960 0.72 ALOX15 (0.56) SMN1; SMN2MAPK1TP53HSD17B10ALOX15
SCHEMBL4923288 0.71 SMN1; SMN2 (0.55) SMN1; SMN2HSD17B10KDM4EL3MBTL1RXFP1
SCHEMBL5904042 0.71 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1TP53HSD17B10ALOX15
SCHEMBL12980199 0.70 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1TP53HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285554-B2 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis ASTELLAS PHARMA INC. (JP) 2007-10-23 US disclosed
US-7247635-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2007-07-24 US disclosed
EP-1024138-B1 PYRAZOLE DERIVATIVES ASTELLAS PHARMA INC (JP) 2007-04-25 EP disclosed
US-20060264430-A1 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis ASTELLAS PHARMA INC. 2006-11-23 US disclosed
US-6958339-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2005-10-25 US disclosed
US-20050234055-A1 Pyrazole derivative ASTELLAS PHARMA INC. 2005-10-20 US disclosed
US-20050048092-A1 Thienyl-pyrazoles and their use for controlling pests WADA KATSUAKI (JP) 2005-03-03 US disclosed
US-6593358-B1 Method for controlling pests, comprising the step of allowing a pesticidally effective amount of one or more compounds selected from the group consisting of one or more compounds of the formula (Ia) according to claim 2 and one or compounds NIHON BAYER AGROCHEM K.K. (JP) 2003-07-15 US disclosed
EP-1200425-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (JP) 2002-05-02 EP disclosed
US-6348480-B1 CALCIUM CHANNEL BLOCKERS AND ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
US-20010011090-A1 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2001-08-02 US disclosed
WO-2001005787-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (DE) 2001-01-25 WO disclosed
EP-1024138-A1 PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-08-02 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-20050234055-A1 Pyrazole derivative RYR2, RYR1, NR1I3 SMN1; SMN2 4190/4885MAPK1 1390/4885TP53 3863/4885
US-20060264430-A1 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis RYR2, HRH4, RYR1 SMN1; SMN2 4791/4885MAPK1 1747/4885TP53 3815/4885
US-20010011090-A1 Pyrazole derivative RYR1, CACNA1E, RYR2 SMN1; SMN2 3702/4885MAPK1 688/4885TP53 4226/4885
US-20050048092-A1 Thienyl-pyrazoles and their use for controlling pests CBR3, C1S, CYP4B1 SMN1; SMN2 4328/4885MAPK1 2860/4885TP53 4132/4885

“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.