SCHEMBL2188146

SCHEMBL2188146

CN(C(=O)COc1ccc(OC(F)(F)F)cc1)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.48
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 2/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNA5 P22460 1/20 0.42
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
MLYCD O95822 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NTRK1 P04629 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
SCHEMBL13545685 0.71 FFAR2 (0.46) TRPM8MEN1KMT2AMAPTNPC1
SCHEMBL972961 0.70 FFAR2 (0.43) TRPM8KMT2AMAPTNPC1RAB9A
SCHEMBL18969622 0.70 FFAR2 (0.43) TRPM8MEN1KMT2APKMALDH1A1
SCHEMBL22481561 0.70 FFAR2 (0.48) TRPM8KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6228985 0.69 KCNA5 (0.36) NPC1RAB9AKCNA5MAOBAOC3
SCHEMBL12824120 0.69 ALDH1A1 (0.54) MEN1KMT2AMAPTSMN1; SMN2MAOB
SCHEMBL2936251 0.69 FFAR2 (0.49) TRPM8NPC1RAB9ASMN1; SMN2PKM
SCHEMBL9942595 0.68 FFAR2 (0.44) TRPM8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22074395 0.68 TRPM8 (0.53) TRPM8MEN1KMT2ANPC1RAB9A
SCHEMBL22074433 0.68 TRPM8 (0.52) TRPM8NPC1RAB9ASMN1; SMN2PKM

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 2 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-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 TRPM8 3342/4885MEN1 3194/4885KMT2A 973/4885

“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.