SCHEMBL1107938

SCHEMBL1107938

FC(F)(F)c1cccc(-c2cccc(-c3nnc(-c4ccc(-c5nnc(-c6cccc(-c7cccc(C(F)(F)F)c7)n6)s5)cc4)s3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.52
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
KMO O15229 1/20 0.45
IDO1 P14902 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
KDM1A O60341 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
XDH P47989 1/20 0.43
F2RL3 Q96RI0 1/20 0.43
MAOB P27338 1/20 0.42
NOTUM Q6P988 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 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
SCHEMBL1107914 0.96 CTSS (0.56) CTSSALDH1A1KDM4EMEN1KMT2A
SCHEMBL1107923 0.94 CTSS (0.52) CTSSALDH1A1KDM4EMEN1KMT2A
SCHEMBL1107942 0.94 CTSS (0.52) CTSSALDH1A1KDM4EMEN1KMT2A
SCHEMBL1107873 0.92 CTSS (0.48) CTSSALDH1A1KDM4EMEN1KMT2A
SCHEMBL1107933 0.89 CTSS (0.48) CTSSALDH1A1KDM4EMEN1KMT2A
SCHEMBL1107926 0.89 CTSS (0.50) CTSSALDH1A1KDM4EMEN1KMT2A
SCHEMBL1107927 0.88 CTSS (0.47) CTSSALDH1A1KDM4EMEN1KMT2A
SCHEMBL1107930 0.88 CTSS (0.49) CTSSALDH1A1KDM4EMEN1KMT2A
SCHEMBL1107875 0.87 TRPV3 (0.41) KDM4EMEN1KMT2A
SCHEMBL1107879 0.86 HSD17B1 (0.41) CTSSPIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153277-B2 Compound having thiadiazole ring structure substituted with pyridyl group and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-8153277-B2 Compound having thiadiazole ring structure substituted with pyridyl group and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-04-30 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-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE OXA1L, SLCO4C1, SLCO2B1 CTSS 4625/4885ALDH1A1 403/4885KDM4E 834/4885

“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.