SCHEMBL6487579

SCHEMBL6487579

COC(=O)C(F)(F)Cc1ccc(OCCN(C)C(C)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ ATM Q13315 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ FDPS P14324 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP13 P45452 2/20 0.38
▸ RHOC P08134 1/20 0.38

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
SCHEMBL6499765 0.89 EBP (0.46) EBPSIGMAR1ATMHRH3CYP1A2
SCHEMBL6497893 0.84 PPARD (0.41) ATMHRH3KMT2AMEN1PPARD
SCHEMBL6487577 0.80 MEN1 (0.52) EBPSIGMAR1ATMHRH3CYP1A2
SCHEMBL7535851 0.79 PPARG (0.44) EBPSIGMAR1ATMHRH3CYP1A2
SCHEMBL7535741 0.79 PPARG (0.44) EBPSIGMAR1ATMHRH3CYP1A2
SCHEMBL7542604 0.78 PPARG (0.41) EBPSIGMAR1ATMHRH3CYP1A2
SCHEMBL7536521 0.78 ATM (0.40) EBPSIGMAR1ATMHRH3CYP1A2
SCHEMBL7564669 0.75 PPARG (0.45) EBPSIGMAR1ATMHRH3PPARD
SCHEMBL7570891 0.75 ATM (0.37) EBPSIGMAR1ATMHRH3CYP1A2
SCHEMBL7628375 0.75 ATM (0.41) EBPSIGMAR1ATMHRH3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924391-B2 Alpha-amino,-thio,-oxo substituted ketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-02 — — US disclosed
US-20020037875-A1 Alpha-amino,-thio,-oxo substituted ketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-03-28 — — 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-20020037875-A1 Alpha-amino,-thio,-oxo substituted ketones as phospholipase inhibitors PLA2G4B, PLA2G4A, PLA2G1B EBP 637/4885SIGMAR1 183/4885ATM 2858/4885

“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.

Send feedback