SCHEMBL5212779

SCHEMBL5212779

CCn1nc(-c2ccc(C(=O)O)s2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HPGD P15428 2/20 0.47
DAO P14920 1/20 0.44
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
HPGDS O60760 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 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
SCHEMBL1594451 0.86 ALDH1A1 (0.72) ALDH1A1GAAL3MBTL1KDM4EHDAC3
SCHEMBL5209123 0.85 ALDH1A1 (0.49) ALDH1A1HPGDGAAL3MBTL1KDM4E
SCHEMBL14953636 0.83 ALDH1A1 (0.56) ALDH1A1HPGDGAAL3MBTL1KDM4E
SCHEMBL2058323 0.83 ALDH1A1 (0.74) ALDH1A1HPGDDAOGAAL3MBTL1
SCHEMBL1594063 0.83 ALDH1A1 (0.47) ALDH1A1HPGDGAAL3MBTL1KDM4E
SCHEMBL5903881 0.82 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EHDAC3HDAC4
SCHEMBL5212364 0.80 ALDH1A1 (0.53) ALDH1A1HPGDDAOGAAL3MBTL1
SCHEMBL14960376 0.80 ALDH1A1 (0.53) ALDH1A1HPGDGAAL3MBTL1KDM4E
SCHEMBL5211472 0.79 HDAC3 (0.55) ALDH1A1HPGDDAOKDM4EHDAC3
SCHEMBL1593107 0.77 ALDH1A1 (0.73) ALDH1A1GAAL3MBTL1KDM4EHDAC3

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-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-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
US-7247635-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2007-07-24 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-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
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 (3 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 ALDH1A1 3447/4885HPGD 2380/4885DAO 2928/4885
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 ALDH1A1 2916/4885HPGD 2009/4885DAO 1435/4885
US-20010011090-A1 Pyrazole derivative RYR1, CACNA1E, RYR2 ALDH1A1 1623/4885HPGD 2385/4885DAO 2079/4885

“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.