SCHEMBL5212643

SCHEMBL5212643

CCOC(=O)c1ccc(-c2cc(C(F)(F)F)n(C(=O)OCC)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KDM4E B2RXH2 7/20 0.45
GAA P10253 6/20 0.45
HPGD P15428 5/20 0.45
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ERN1 O75460 2/20 0.41
CASP1 P29466 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CASP7 P55210 2/20 0.41
TSHR P16473 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 4/20 0.39
KLK7 P49862 1/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5209123 0.86 ALDH1A1 (0.49) ALDH1A1HDAC3HDAC4HDAC1HDAC6
SCHEMBL5213055 0.81 HDAC3 (0.51) ALDH1A1HDAC3HDAC4HDAC1HDAC6
SCHEMBL1594925 0.76 ALDH1A1 (0.63) ALDH1A1HDAC3HDAC4HDAC1HDAC6
SCHEMBL14495662 0.76 GAA (0.44) ALDH1A1KDM4EGAAHPGDPOLB
SCHEMBL1594923 0.75 ALDH1A1 (0.61) ALDH1A1HDAC3HDAC4HDAC1HDAC6
SCHEMBL5210505 0.74 HDAC3 (0.51) ALDH1A1HDAC3HDAC4HDAC1HDAC6
SCHEMBL5211996 0.74 HDAC3 (0.51) ALDH1A1HDAC3HDAC4HDAC1HDAC6
SCHEMBL1199201 0.73 MAPT (0.60) ALDH1A1HDAC3HDAC4HDAC1HDAC6
SCHEMBL5623695 0.71 HDAC3 (0.51) ALDH1A1HDAC3HDAC4HDAC1HDAC6
SCHEMBL5212779 0.71 ALDH1A1 (0.53) ALDH1A1HDAC3HDAC4HDAC1HDAC6

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 9 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-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 3447/4885HDAC3 302/4885HDAC4 990/4885
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 2916/4885HDAC3 188/4885HDAC4 739/4885
US-20010011090-A1 Pyrazole derivative RYR1, CACNA1E, RYR2 ALDH1A1 1623/4885HDAC3 663/4885HDAC4 2208/4885

“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.