SCHEMBL3084328

SCHEMBL3084328

CCOC(=O)CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.55
FFAR1 O14842 6/20 0.44
FFAR4 Q5NUL3 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MAOB P27338 2/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NR4A2 P43354 1/20 0.40
PRKX P51817 1/20 0.40
ACVR1 Q04771 1/20 0.40
S1PR5 Q9H228 1/20 0.40
POLB P06746 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL1564063 0.95 S1PR1 (0.54) S1PR1FFAR1FFAR4PPARGPPARD
SCHEMBL1563972 0.93 S1PR1 (0.57) S1PR1FFAR1FFAR4MAOBCYP4F2
SCHEMBL1563280 0.90 S1PR1 (0.52) S1PR1MAOBLTB4RLTB4R2NR4A2
SCHEMBL13179951 0.86 PPARA (0.43) S1PR1PPARGPPARACYP4F2CYP4A11
SCHEMBL1564053 0.86 S1PR1 (0.43) S1PR1FFAR1FFAR4PPARGPPARD
SCHEMBL1564081 0.85 S1PR1 (0.61) S1PR1FFAR1FFAR4PPARGMAOB
SCHEMBL1564022 0.85 S1PR1 (0.58) S1PR1FFAR1PPARGMAOBLTB4R
SCHEMBL3117419 0.85 FFAR1 (0.48) S1PR1FFAR1FFAR4PPARGPPARD
SCHEMBL2960835 0.84 S1PR1 (0.56) S1PR1FFAR1MAOBLTB4RLTB4R2
SCHEMBL1563172 0.83 S1PR1 (0.57) S1PR1FFAR1PPARGMAOBLTB4R

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
EP-2511262-B1 PROCESS FOR PRODUCING 2-AMINO-2-[2-[4-(3-BENZYLOXY-PHENYLTHIO)-2-CHLOROPHENYL[ETHYL]-1,3-PROPANEDIOL HYDROCHLORIDE KYORIN SEIYAKU KK (JP) 2017-02-01 EP disclosed
EP-2511262-B1 PROCESS FOR PRODUCING 2-AMINO-2-[2-[4-(3-BENZYLOXY-PHENYLTHIO)-2-CHLOROPHENYL[ETHYL]-1,3-PROPANEDIOL HYDROCHLORIDE KYORIN SEIYAKU KK (JP) 2017-02-01 EP disclosed
EP-1806338-B1 PROCESS FOR PRODUCING 2-AMINO-2-[2-[4-(3-BENZYLOXY-PHENYLTHIO)-2-CHLOROPHENYL[ETHYL]-1,3-PROPANEDIOL HYDROCHLORIDE AND HYDRATES THEREOF. AND INTERMEDIATES THE PRODUCTION THEREOF KYORIN SEIYAKU KK (JP) 2016-01-20 EP disclosed
EP-2511262-A1 PROCESS FOR PRODUCING 2-AMINO-2-[2-[4-(3-BENZYLOXY-PHENYLTHIO)-2-CHLOROPHENYL[ETHYL]-1,3-PROPANEDIOL HYDROCHLORIDE Kyorin Pharmaceutical Co., Ltd. (JP) 2012-10-17 EP disclosed
US-7795472-B2 Process for producing 2-amino-2-[2-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]ethyl]-1,3-propanediol hydrochloride and hydrates thereof, and intermediates in the production thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-7795472-B2 Process for producing 2-amino-2-[2-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]ethyl]-1,3-propanediol hydrochloride and hydrates thereof, and intermediates in the production thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-20080207941-A1 Process for Producing 2-Amino-2-[2-[4-(3-Benzyloxyphenylthio)-2-Chlorophenyl]Ethyl]-1,3-Propanediol Hydrochloride and Hydrates Thereof, and Intermediates in the Production Thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
US-20080207941-A1 Process for Producing 2-Amino-2-[2-[4-(3-Benzyloxyphenylthio)-2-Chlorophenyl]Ethyl]-1,3-Propanediol Hydrochloride and Hydrates Thereof, and Intermediates in the Production Thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1806338-A1 PROCESS FOR PRODUCING 2-AMINO-2-[2-[4-(3-BENZYLOXY­PHENYLTHIO)-2-CHLOROPHENYL[ETHYL]-1,3-PROPANEDIOL HYDROCHLORIDE OR HYDRATE THEREOF AND INTERMEDIATE FOR THE SAME Kyorin Pharmaceutical Co., Ltd. (JP) 2007-07-11 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 (1 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-20080207941-A1 Process for Producing 2-Amino-2-[2-[4-(3-Benzyloxyphenylthio)-2-Chlorophenyl]Ethyl]-1,3-Propanediol Hydrochloride and Hydrates Thereof, and Intermediates in the Production Thereof NAT1, ACR, NOD1 S1PR1 3782/4885FFAR1 2523/4885FFAR4 2123/4885

“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.