SCHEMBL4388201

SCHEMBL4388201

CCSCCNC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MCHR1 Q99705 1/20 0.37
MAPT P10636 2/20 0.36
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL4389229 0.91 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL5669715 0.88 HDAC3 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL5669968 0.86 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL2172869 0.86 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL5667723 0.85 ABL1 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL4389889 0.85 TSHR (0.50) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL5667982 0.84 KDM4E (0.47) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4392420 0.83 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL4387739 0.83 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL2172250 0.83 MEN1 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19POLB

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US claimed

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 CYP1A2 3488/4885CYP3A4 3497/4885CYP2C9 4093/4885

“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.