SCHEMBL4392406

SCHEMBL4392406

C[C@@H](CNC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 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
SCHEMBL4383724 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL4395355 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL4562630 0.93 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2POLBKMT2APREP
SCHEMBL4383973 0.87 EPHX2 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL4387739 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL5667982 0.84 KDM4E (0.47) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL13787358 0.83 SMN1; SMN2 (0.42) SMN1; SMN2POLBPREPFAPCYP1A2
SCHEMBL5668017 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL4386435 0.83 CACNA1G (0.43) ALDH1A1POLBMEN1KMT2AHCRTR1
SCHEMBL4394082 0.83 CACNA1G (0.43) ALDH1A1POLBMEN1KMT2AHCRTR1

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
EP-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 EP claimed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 WO claimed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 ALDH1A1 1466/4885SMN1; SMN2 4564/4885POLB 3321/4885

“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.