SCHEMBL1107927

SCHEMBL1107927

CC(C)(C)c1cc(-c2nnc(-c3cccc(-c4cccc(C(F)(F)F)c4)n3)s2)cc(-c2nnc(-c3cccc(-c4cccc(C(F)(F)F)c4)n3)s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.47
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM1A O60341 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F2RL3 Q96RI0 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KMO O15229 1/20 0.41
KDM4E B2RXH2 3/20 0.40
IDO1 P14902 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GABRA1 P14867 1/20 0.40
HPGD P15428 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 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
SCHEMBL1107923 0.94 CTSS (0.52) CTSSPIM1PIM3ALDH1A1KDM1A
SCHEMBL1107942 0.91 CTSS (0.52) CTSSPIM1PIM3ALDH1A1KDM1A
SCHEMBL1107944 0.90 TRPV3 (0.40) CTSSPIM1PIM3ALDH1A1KDM4E
SCHEMBL1107914 0.89 CTSS (0.56) CTSSPIM1PIM3ALDH1A1KDM1A
SCHEMBL1107933 0.89 CTSS (0.48) CTSSPIM1PIM3ALDH1A1KDM1A
SCHEMBL1107938 0.88 CTSS (0.52) CTSSPIM1PIM3ALDH1A1KDM1A
SCHEMBL1107876 0.87 KMT2A (0.44) PIM1PIM3ALDH1A1KDM4EMEN1
SCHEMBL1107873 0.84 CTSS (0.48) CTSSPIM1PIM3ALDH1A1KDM1A
SCHEMBL1107926 0.83 CTSS (0.50) CTSSPIM1PIM3ALDH1A1KDM1A
SCHEMBL1107930 0.82 CTSS (0.49) CTSSALDH1A1KDM1ASMN1; SMN2F2RL3

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 4625/4885PIM1 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.