SCHEMBL2173603

SCHEMBL2173603

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCc2cccc(F)c2)cs1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SGMS1 Q86VZ5 3/20 0.49
TRPV1 Q8NER1 4/20 0.46
TP53 P04637 3/20 0.45
THRB P10828 1/20 0.45
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
LMNA P02545 1/20 0.40
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
IGF1R P08069 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
SCHEMBL12407097 0.91 TRPV1 (0.45) SGMS1TRPV1TP53MMP13HIF1A
SCHEMBL283213 0.91 TRPV1 (0.58) SGMS1TRPV1TP53THRBLMNA
SCHEMBL4397597 0.91 TRPV1 (0.45) SGMS1TRPV1LMNAHIF1ASMN1; SMN2
SCHEMBL4387635 0.90 SGMS1 (0.47) SGMS1TRPV1TP53THRBLMNA
SCHEMBL4387708 0.90 TRPV1 (0.44) TRPV1TP53LMNAHIF1ASMN1; SMN2
SCHEMBL2172869 0.86 CYP1A2 (0.43) SGMS1TRPV1LTA4HEPHX2HIF1A
SCHEMBL4397607 0.86 CYP1A2 (0.46) SGMS1TRPV1LMNASMN1; SMN2
SCHEMBL4396904 0.85 MAPT (0.48) SGMS1TRPV1TP53THRBLMNA
SCHEMBL2172634 0.85 TRPV1 (0.56) TRPV1HIF1ASLC40A1IGF1R
SCHEMBL4392420 0.85 CYP1A2 (0.52) SGMS1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 1649/4885TRPV1 3477/4885TP53 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.