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SCHEMBL3303464

SCHEMBL3303464

CCC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C(CC)CCc1ccc(Sc2cccc(C(F)(F)F)c2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ MRGPRX4 Q96LA9 2/20 0.33
▸ GAA P10253 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ PPARD Q03181 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 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
SCHEMBL15310561 0.90 ATM (0.33) ATML3MBTL1RXFP1SIRT2PTGES
SCHEMBL3583786 0.84 RXFP1 (0.35) ATML3MBTL1RXFP1SIRT2PTGES
SCHEMBL3583782 0.84 RXFP1 (0.35) ATML3MBTL1RXFP1SIRT2PTGES
SCHEMBL3297320 0.83 ATM (0.33) ATML3MBTL1RXFP1SIRT2PTGES
SCHEMBL3301987 0.80 ATM (0.36) ATML3MBTL1RXFP1SIRT2PTGES
SCHEMBL3303434 0.79 S1PR1 (0.35) ATML3MBTL1RXFP1SIRT2PPARG
SCHEMBL3303426 0.79 S1PR1 (0.35) ATML3MBTL1RXFP1SIRT2PPARG
SCHEMBL3303300 0.79 S1PR1 (0.40) ATML3MBTL1RXFP1SIRT2LMNA
SCHEMBL3303292 0.79 S1PR1 (0.40) ATML3MBTL1RXFP1SIRT2LMNA
SCHEMBL3303454 0.79 SIRT2 (0.35) ATML3MBTL1RXFP1SIRT2PTGES

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
EP-2058317-B1 AMINOPHOSPHORIC ACID ESTER DERIVATIVE AND S1P RECEPTOR MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2013-10-16 — — EP disclosed
US-8476305-B2 Therapeutic agent or prophylactic agent for inflammatory bowel disease comprising amino alcohol derivative as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 — — US disclosed
US-20100324057-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR INFLAMMATORY BOWEL DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-12-23 — — US disclosed
US-20100093745-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMYELINATING DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 — — US 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 (2 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-20100324057-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR INFLAMMATORY BOWEL DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT S1PR1, S1PR2, SPHK1 ATM 2109/4885L3MBTL1 4718/4885RXFP1 227/4885
US-20100093745-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMYELINATING DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT S1PR1, MAG, PMP22 ATM 1649/4885L3MBTL1 4441/4885RXFP1 692/4885

“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.