SCHEMBL3580227

SCHEMBL3580227

CC(CCCc1ccc(Sc2cccc(C(F)(F)F)c2)cc1Cl)(C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
S1PR1 P21453 2/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
SLC13A5 Q86YT5 1/20 0.35

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
SCHEMBL3304123 0.91 SIRT2 (0.37) SIRT2ATML3MBTL1MAPTSLC6A2
SCHEMBL3297358 0.87 SIRT2 (0.39) SIRT2ATML3MBTL1MAPTSLC6A2
SCHEMBL3583777 0.85 SIRT2 (0.37) SIRT2ATML3MBTL1MAPTSLC6A2
SCHEMBL1456844 0.84 SLC6A2 (0.41) SIRT2MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL1456278 0.84 S1PR1 (0.42) SIRT2ATML3MBTL1MAPTSLC6A2
SCHEMBL3303906 0.84 S1PR1 (0.42) SIRT2ATML3MBTL1MAPTSLC6A2
Hydrochloric Acid SCHEMBL1456276 0.84 SLC6A2 (0.40) SIRT2MAPTSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1455819 0.83 S1PR1 (0.42) SIRT2ATML3MBTL1MAPTSLC6A2
Hydrochloric Acid SCHEMBL1645175 0.83 S1PR1 (0.42) SIRT2ATML3MBTL1MAPTSLC6A2
SCHEMBL1457076 0.83 SLC6A2 (0.40) SIRT2ATML3MBTL1MAPTSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-01-14 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 (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-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT ALDH7A1, AADAT, IDO1 SIRT2 2251/4885ATM 1489/4885L3MBTL1 3920/4885

“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.