Sugi Predict

Sugi Predict / Compounds / SCHEMBL1107872

SCHEMBL1107872

SCHEMBL1107872

FC(F)(F)c1ccccc1-c1cccc(-c2nnc(-c3ccc4ccc(-c5nnc(-c6cccc(-c7ccccc7C(F)(F)F)n6)s5)nc4n3)s2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.43
▸ KMO O15229 1/20 0.39
▸ F2RL3 Q96RI0 1/20 0.38
▸ HSD11B1 P28845 3/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CDC7 O00311 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ DBF4 Q9UBU7 1/20 0.36
▸ VCP P55072 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ MPL P40238 2/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL13999221 0.93 PTPN1 (0.41) PTPN1KMOF2RL3HSD11B1MPL
SCHEMBL1107908 0.92 KMO (0.44) PTPN1KMOF2RL3HSD11B1CNR2
SCHEMBL1107868 0.86 KMO (0.41) KMOF2RL3HSD11B1ALDH1A1HPGD
SCHEMBL1107958 0.85 SCN9A (0.43) KMOF2RL3HSD11B1ALDH1A1HPGD
SCHEMBL1107907 0.85 ALDH1A1 (0.43) PTPN1KMOF2RL3HSD11B1ALDH1A1
SCHEMBL1107917 0.84 ACP1 (0.44) PTPN1KMOF2RL3ALDH1A1HPGD
SCHEMBL1107921 0.84 SCN9A (0.45) KMOF2RL3HSD11B1ACP1
SCHEMBL1107893 0.83 HSD11B1 (0.46) KMOF2RL3HSD11B1ACP1
SCHEMBL1107918 0.81 SCN9A (0.42) KMOF2RL3HSD11B1ALDH1A1HPGD
SCHEMBL1107959 0.79 KDM4E (0.41) ALDH1A1HPGDKDM4ENPC1MAPT

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 PTPN1 3706/4885KMO 974/4885F2RL3 2710/4885

“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.