SCHEMBL949305

SCHEMBL949305

O=C(O)[C@@H](O)CSc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.44
HSD17B10 Q99714 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
MMP2 P08253 3/20 0.39
MMP3 P08254 3/20 0.39
MMP9 P14780 3/20 0.39
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 0.39
RAB9A P51151 1/20 0.38
SDCBP O00560 1/20 0.38
SDC2 P34741 1/20 0.38
CYP2A6 P11509 1/20 0.38
BACE1 P56817 3/20 0.38
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
ANPEP P15144 1/20 0.37

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
SCHEMBL949434 1.00 KMO (0.44) KMOHSD17B10CYP2C19CYP2C9MMP2
SCHEMBL27670173 1.00 KMO (0.44) KMOHSD17B10CYP2C19CYP2C9MMP2
SCHEMBL949036 0.84 MMP2 (0.44) KMOHSD17B10CYP2C19CYP2C9MMP2
SCHEMBL947915 0.83 MTNR1A (0.39) CYP2C19CYP2C9MMP2
SCHEMBL948235 0.83 MTNR1A (0.39) CYP2C19CYP2C9MMP2
SCHEMBL948935 0.82 ALOX15 (0.43) CYP2C19CYP2C9RAB9A
SCHEMBL7014510 0.78 ALOX15 (0.42) CYP2C19CYP2C9RAB9A
SCHEMBL7016534 0.77 TP53 (0.46) KMOCYP2C19CYP2C9RAB9ASDCBP
SCHEMBL7391939 0.74 FFAR1 (0.52) CYP2C19MMP2MMP3MMP9MMP13
SCHEMBL7391935 0.74 FFAR1 (0.52) CYP2C19MMP2MMP3MMP9MMP13

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 KMO 74/4885HSD17B10 821/4885CYP2C19 25/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 KMO 123/4885HSD17B10 888/4885CYP2C19 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.