Sugi Predict

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SCHEMBL3301980

SCHEMBL3301980

CCC(CCC(C)(NC(=O)OC(C)(C)C)C(=O)O)c1ccc(Sc2cccc(C(F)(F)F)c2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ PPARG P37231 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 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
SCHEMBL3304736 0.84 ATM (0.36) ATML3MBTL1SIRT2ALDH1A1POLB
SCHEMBL3583252 0.81 SIRT2 (0.37) ATML3MBTL1SIRT2ALDH1A1POLB
SCHEMBL3583255 0.81 SIRT2 (0.37) ATML3MBTL1SIRT2ALDH1A1POLB
SCHEMBL3303454 0.81 SIRT2 (0.35) ATML3MBTL1SIRT2ALDH1A1POLB
SCHEMBL3299443 0.78 TLR8 (0.38) PPARGPPARAPPARD
SCHEMBL3297319 0.78 SIRT2 (0.33) ATML3MBTL1SIRT2ALDH1A1RXFP1
SCHEMBL3301987 0.77 ATM (0.36) ATML3MBTL1SIRT2ALDH1A1RXFP1
SCHEMBL15310409 0.73 SIRT2 (0.37) ATML3MBTL1SIRT2ALDH1A1POLB
SCHEMBL3301977 0.73 SIRT2 (0.37) ATML3MBTL1SIRT2ALDH1A1POLB
SCHEMBL3298161 0.71 SIRT2 (0.37) ATML3MBTL1SIRT2ALDH1A1POLB

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 4718/4885SIRT2 1580/4885
US-20100093745-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMYELINATING DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT S1PR1, MAG, PMP22 ATM 1649/4885L3MBTL1 4441/4885SIRT2 2313/4885

“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.