SCHEMBL1107879

SCHEMBL1107879

FC(F)(F)c1ccc(-c2cccc(-c3nnc(-c4cccc(-c5nnc(-c6cccc(-c7ccc(C(F)(F)F)cc7)n6)s5)c4)s3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.41
PIM1 P11309 3/20 0.40
PIM3 Q86V86 3/20 0.40
PIM2 Q9P1W9 2/20 0.40
CTSS P25774 1/20 0.40
KIF11 P52732 1/20 0.40
TRPV3 Q8NET8 6/20 0.39
SCN9A Q15858 3/20 0.39
TOP1 P11387 2/20 0.39

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
SCHEMBL1107909 0.96 TRPV3 (0.40) CTSSTRPV3SCN9ATOP1
SCHEMBL1107875 0.93 TRPV3 (0.41) KIF11TRPV3SCN9A
SCHEMBL1107937 0.93 TRPV3 (0.43) KIF11TRPV3SCN9A
SCHEMBL1107931 0.92 KIF11 (0.46) PIM1PIM3PIM2KIF11TRPV3
SCHEMBL1107966 0.92 CDK2 (0.39) HSD17B1PIM1PIM3PIM2TRPV3
SCHEMBL1107942 0.89 CTSS (0.52) HSD17B1PIM1PIM3CTSS
SCHEMBL1107944 0.88 TRPV3 (0.40) PIM1PIM3CTSSTRPV3SCN9A
SCHEMBL1107929 0.86 TRPV3 (0.39) KIF11TRPV3SCN9ATOP1
SCHEMBL1107938 0.86 CTSS (0.52) PIM1PIM3CTSS
SCHEMBL1107923 0.86 CTSS (0.52) PIM1PIM3CTSS

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 HSD17B1 665/4885PIM1 1477/4885PIM3 1919/4885

“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.