SCHEMBL4387635

SCHEMBL4387635

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCc2ccc(F)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS1 Q86VZ5 1/20 0.47
LMNA P02545 7/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.41
EPHX2 P34913 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PREP P48147 1/20 0.41
FAP Q12884 1/20 0.41
LTA4H P09960 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2172869 0.93 CYP1A2 (0.43) SGMS1MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL4396904 0.92 MAPT (0.48) SGMS1LMNATP53MAPTSMN1; SMN2
SCHEMBL4392420 0.92 CYP1A2 (0.52) SGMS1LMNAMAPTSMN1; SMN2GAA
SCHEMBL2173603 0.90 SGMS1 (0.49) SGMS1LMNATP53SMN1; SMN2THRB
SCHEMBL2173525 0.89 ALDH1A1 (0.52) SGMS1ALDH1A1POLBKMT2A
SCHEMBL4397607 0.87 CYP1A2 (0.46) SGMS1LMNAMAPTSMN1; SMN2GAA
SCHEMBL2172634 0.87 TRPV1 (0.56) MAPTGAAKDM4ECYP1A2CYP3A4
SCHEMBL4397597 0.85 TRPV1 (0.45) SGMS1LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL283213 0.85 TRPV1 (0.58) SGMS1LMNATP53MAPTSMN1; SMN2
SCHEMBL12407097 0.85 TRPV1 (0.45) SGMS1TP53MAPTSMN1; SMN2GAA

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 5 patents. 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
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
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 SGMS1 1649/4885LMNA 1626/4885TP53 534/4885

“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.