SCHEMBL2171605

SCHEMBL2171605

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCc2cccc(Cl)c2)co1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.58
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
HIF1A Q16665 1/20 0.43
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
CNR1 P21554 1/20 0.42
HTT P42858 1/20 0.42
CSNK1D P48730 1/20 0.42
THRB P10828 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SGMS1 Q86VZ5 2/20 0.40

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
SCHEMBL5670058 0.90 TRPV1 (0.45) TRPV1CACNA1GCACNA1HCACNA1IGAA
SCHEMBL5668410 0.90 LTA4H (0.48) TRPV1CACNA1GCACNA1HCACNA1IGAA
SCHEMBL5667686 0.86 CACNA1G (0.46) TRPV1CACNA1GCACNA1HCACNA1IMAPT
SCHEMBL2173420 0.85 TRPV1 (0.60) TRPV1GAAMAPTHIF1ATP53
SCHEMBL2187253 0.84 SGMS1 (0.42) TRPV1CACNA1GCACNA1HCACNA1IMAPT
SCHEMBL4383737 0.84 TRPV1 (0.58) TRPV1GAAHIF1ATP53ALOX12
SCHEMBL283213 0.84 TRPV1 (0.58) TRPV1GAAMAPTHIF1ATP53
SCHEMBL2171492 0.83 TRPV1 (0.56) TRPV1CACNA1GCACNA1HCACNA1IHIF1A
SCHEMBL4392401 0.81 CACNA1G (0.51) TRPV1CACNA1GCACNA1HCACNA1ICSNK1D
SCHEMBL4388997 0.80 CACNA1G (0.46) TRPV1CACNA1GCACNA1HCACNA1IMAPT

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-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

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 TRPV1 3477/4885CACNA1G 4004/4885CACNA1H 4347/4885

“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.