SCHEMBL21391473

SCHEMBL21391473

Cc1ccccc1-c1csc(N(/N=C/C2=CCCC=C2C(=O)O)C(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 17/20 0.54
▸ ATP4A P20648 2/20 0.36
▸ ATP4B P51164 2/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.33

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
SCHEMBL21391529 0.84 DHODH (0.56) DHODHATP4AATP4B
SCHEMBL24141937 0.77 DHODH (0.67) DHODH
SCHEMBL21391587 0.77 DHODH (0.50) DHODHATP4AATP4BSIRT5
SCHEMBL21391594 0.77 DHODH (0.48) DHODHATP4AATP4B
SCHEMBL21391527 0.75 DHODH (0.64) DHODH
SCHEMBL21391596 0.74 DHODH (0.48) DHODHATP4AATP4B
SCHEMBL24142079 0.74 DHODH (0.70) DHODH
SCHEMBL21391550 0.72 DHODH (0.51) DHODH
SCHEMBL24141938 0.71 DHODH (0.53) DHODHATP4AATP4BSIRT5
SCHEMBL20836148 0.70 DHODH (1.00) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190290620-A1 APPLICATIONS OF NOVEL THIAZOLE DERIVATIVE IN TREATING INFLAMMATORY BOWEL DISEASES EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-09-26 — — 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-20190290620-A1 APPLICATIONS OF NOVEL THIAZOLE DERIVATIVE IN TREATING INFLAMMATORY BOWEL DISEASES FABP2, SLC10A2, ALPI DHODH 803/4885ATP4A 1371/4885ATP4B 1783/4885

“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.

Send feedback