SCHEMBL949036

SCHEMBL949036

O=C(O)C(CO)CSc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.44
MMP3 P08254 3/20 0.44
MMP9 P14780 3/20 0.44
MMP13 P45452 2/20 0.44
MMP1 P03956 1/20 0.44
MMP8 P22894 1/20 0.44
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMO O15229 4/20 0.38
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ACLY P53396 1/20 0.36
SDCBP O00560 1/20 0.35
SDC2 P34741 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.34

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
SCHEMBL27670173 0.84 KMO (0.44) MMP2MMP3MMP9MMP13MMP1
SCHEMBL949434 0.84 KMO (0.44) MMP2MMP3MMP9MMP13MMP1
SCHEMBL949305 0.84 KMO (0.44) MMP2MMP3MMP9MMP13MMP1
SCHEMBL948235 0.72 MTNR1A (0.39) MMP2CYP2C9CYP2C19
SCHEMBL947915 0.72 MTNR1A (0.39) MMP2CYP2C9CYP2C19
SCHEMBL7016534 0.72 TP53 (0.46) CYP2C9CYP2C19KMOSDCBPSDC2
SCHEMBL28932705 0.72 MMP2 (0.55) MMP2MMP3MMP9MMP13MMP1
SCHEMBL5279103 0.72 ANPEP (0.48) MMP2MMP3MMP9MMP13MMP1
SCHEMBL948935 0.71 ALOX15 (0.43) CYP2C9CYP2C19TSHRHTR2AKDM4E
SCHEMBL7018220 0.71 CYP2A6 (0.43) CYP2C9CYP2C19KDM4EALDH1A1CYP2A6

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 MMP2 3354/4885MMP3 2598/4885MMP9 2131/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 MMP2 3586/4885MMP3 2875/4885MMP9 2308/4885

“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.