SCHEMBL951875

SCHEMBL951875

O=C(O)CCSCCc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CYP2C19 P33261 1/20 0.53
▸ FFAR1 O14842 2/20 0.51
▸ LMNA P02545 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALPG P10696 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MMP12 P39900 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ IDO1 P14902 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ PTGER1 P34995 1/20 0.46
▸ PTGER4 P35408 1/20 0.46

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
SCHEMBL9260063 0.85 CYP2C19 (0.71) CYP2C19FFAR1LMNAKMT2AHSD17B10
SCHEMBL6011707 0.82 IDO1 (0.55) USP2HPGDCYP2C19LMNAALPG
SCHEMBL13870215 0.82 FFAR1 (0.56) CYP2C19FFAR1LMNAKMT2AHSD17B10
SCHEMBL25226845 0.82 FFAR1 (0.56) CYP2C19FFAR1LMNAKMT2AHSD17B10
SCHEMBL22461378 0.81 ALDH1A1 (0.51) CYP2C19FFAR1LMNAKMT2AHSD17B10
SCHEMBL349314 0.81 FFAR1 (0.71) FFAR1KMT2AKEAP1MEN1PLAAT3
SCHEMBL27255434 0.79 BHMT (0.49) USP2HPGDIDO1
Hydrochloric Acid SCHEMBL11045221 0.79 FFAR1 (0.69) FFAR1KMT2AKEAP1MEN1PLAAT3
SCHEMBL11887772 0.79 CYP2C19 (0.56) CYP2C19FFAR1LMNAKMT2AHSD17B10
SCHEMBL13778182 0.78 NR1H4 (0.54) CYP2C19FFAR1LMNAKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 — — US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 — — US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 — — EP 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 USP2 3171/4885HPGD 356/4885CYP2C19 25/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 USP2 3745/4885HPGD 248/4885CYP2C19 22/4885

“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.

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