SCHEMBL15519975

SCHEMBL15519975

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TRPM8 Q7Z2W7 8/20 0.38
▸ RXRA P19793 2/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ RORC P51449 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14054353 0.92 MAPT (0.37) TP53MAPTALDH1A1KDM4ELMNA
SCHEMBL15519729 0.90 MEN1 (0.37) TP53MAPTTRPM8RXRARXRB
SCHEMBL15519817 0.90 TRPM8 (0.37) TP53MAPTTRPM8RXRASRD5A2
SCHEMBL15519728 0.88 TRPM8 (0.42) TP53MAPTTRPM8L3MBTL1
SCHEMBL12096891 0.85 PPARG (0.45) TP53MAPTRXRASRD5A2RXRB
SCHEMBL14054035 0.83 TRPM8 (0.44) TRPM8RORC
SCHEMBL15519810 0.82 TRPM8 (0.43) TRPM8PTGER4RORC
SCHEMBL14053977 0.82 CYP3A4 (0.36) TP53MAPTALDH1A1KDM4ELMNA
SCHEMBL12096645 0.82 RXRA (0.41) RXRASRD5A2RXRBRARARARB
SCHEMBL15519675 0.80 TRPM8 (0.34) TP53MAPTTRPM8RXRARXRB

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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