SCHEMBL10645064

SCHEMBL10645064

CCC(C(=O)O)S(=O)(=O)c1ccc2c(-c3ccccc3F)noc2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TACR3 P29371 2/20 0.34
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PPARG P37231 4/20 0.33
▸ PPARA Q07869 4/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ GABRA5 P31644 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL10642629 0.87 GPBAR1 (0.38) GPBAR1PTGS1MEN1KMT2APPARG
SCHEMBL10644719 0.80 PTGS1 (0.39) GPBAR1PTGS1MEN1KMT2AHPGD
SCHEMBL10661841 0.79 MAPT (0.41) GPBAR1PTGS1TACR3PPARGPPARA
SCHEMBL10642245 0.78 ESR1 (0.37) GPBAR1TACR3NPC1RAB9AALDH1A1
SCHEMBL11016219 0.77 GPBAR1 (0.38) GPBAR1PTGS1KMT2AHPGDTSHR
SCHEMBL10644625 0.77 POLB (0.41) GPBAR1PTGS1MEN1KMT2ATACR3
SCHEMBL10642311 0.76 GPBAR1 (0.36) GPBAR1PTGS1MEN1KMT2ATACR3
SCHEMBL10738125 0.75 PPARG (0.44) GPBAR1PTGS1MEN1KMT2AHPGD
SCHEMBL10643048 0.74 GPBAR1 (0.39) GPBAR1PTGS1MEN1KMT2APPARG
SCHEMBL10658293 0.73 PPARA (0.42) GPBAR1PTGS1TACR3HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4602028-A Antihypertensive 3-aryl-1,2-benzisoxazol-sulfonyl and sulfinylalkanoic acids HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1986-07-22 — — US claimed
EP-0147691-B1 ANTIHYPERTENSIVE 3-ARYL-1,2-BENZISOXAZOLSULFONYL AND-SULFINYL-ALKANOIC ACIDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-01-20 — — EP disclosed
US-4602028-A Antihypertensive 3-aryl-1,2-benzisoxazol-sulfonyl and sulfinylalkanoic acids HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1986-07-22 — — US disclosed
EP-0147691-A1 Antihypertensive 3-aryl-1,2-benzisoxazolsulfonyl and-sulfinyl-alkanoic acids, a process for their preparation and their use for the preparation of medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-07-10 — — EP disclosed
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