SCHEMBL13719338

SCHEMBL13719338

CC(C)Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ GAA P10253 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ PTGES2 Q9H7Z7 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ FUBP1 Q96AE4 2/20 0.32
▸ HPGD P15428 4/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 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
SCHEMBL12620551 0.85 ALDH1A1 (0.55) ALDH1A1GAAL3MBTL1PTGES2POLB
SCHEMBL4244410 0.82 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1PTGES2POLB
SCHEMBL1595309 0.81 ALDH1A1 (0.58) ALDH1A1GAAL3MBTL1PTGES2POLB
SCHEMBL4246156 0.80 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1PTGES2POLB
SCHEMBL14288350 0.79 ALDH1A1 (0.55) ALDH1A1GAAL3MBTL1PTGES2POLB
SCHEMBL13471700 0.78 ALDH1A1 (0.60) ALDH1A1GAAL3MBTL1PTGES2POLB
SCHEMBL22536652 0.77 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1PTGES2POLB
SCHEMBL12568259 0.77 ALDH1A1 (0.56) ALDH1A1GAAL3MBTL1PTGES2POLB
SCHEMBL1594145 0.77 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1PTGES2POLB
SCHEMBL9966080 0.77 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1PTGES2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 — — US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 — — US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 — — 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-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA ALDH1A1 1055/4885GAA 30/4885L3MBTL1 1217/4885

“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.

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