SCHEMBL15519817

SCHEMBL15519817

CC(C)c1cccc(S(=O)(=O)n2c(C(O)c3ccc(C(=O)O)cc3)cc3cc(C(F)(F)F)cnc32)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 9/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RORC P51449 3/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ USP36 Q9P275 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL14053977 0.92 CYP3A4 (0.36) ALDH1A1KDM4EMAPTTP53RORC
SCHEMBL15519675 0.90 TRPM8 (0.34) TRPM8RXRARXRBALDH1A1KDM4E
SCHEMBL15519975 0.90 TP53 (0.39) TRPM8RXRARXRBALDH1A1KDM4E
SCHEMBL15519674 0.89 TRPM8 (0.39) TRPM8
SCHEMBL12096771 0.85 PPARG (0.45) RXRARXRBRXRGMAPTTP53
SCHEMBL14053670 0.85 TRPM8 (0.40) TRPM8RORC
SCHEMBL15519980 0.84 PPARG (0.40) TRPM8PTGER4
SCHEMBL14054353 0.82 MAPT (0.37) ALDH1A1KDM4EMAPTTP53RORC
SCHEMBL15519729 0.80 MEN1 (0.37) TRPM8RXRARXRBALDH1A1KDM4E
SCHEMBL15519840 0.78 CNR1 (0.39) TRPM8RXRARXRBPTGER4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521727-B1 NEW BENZOIC PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARKINSON'S DISEASE INVENTIVA (FR) 2014-03-19 — — EP claimed
EP-2521727-B1 NEW BENZOIC PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARKINSON'S DISEASE INVENTIVA (FR) 2014-03-19 — — EP disclosed
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