SCHEMBL21391592

SCHEMBL21391592

Cc1ccccc1-c1csc(N/N=C/C2=CCCC=C2C(=O)OCCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.47
▸ ATP4A P20648 1/20 0.42
▸ ATP4B P51164 1/20 0.42
▸ MAPT P10636 8/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ MRE11 P49959 1/20 0.37
▸ GLA P06280 1/20 0.36

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
SCHEMBL21391587 0.85 DHODH (0.50) DHODHATP4AATP4BMAPTMEN1
SCHEMBL21391596 0.83 DHODH (0.48) DHODHATP4AATP4BMAPTMEN1
SCHEMBL19631419 0.74 DHODH (0.80) DHODHATP4AATP4BMAPTALDH1A1
SCHEMBL21391550 0.71 DHODH (0.51) DHODHALDH1A1LMNA
SCHEMBL25613755 0.69 DHODH (0.56) DHODHMAPTMEN1KMT2ALMNA
SCHEMBL25614262 0.68 DHODH (0.53) DHODHATP4AATP4BMAPTMEN1
SCHEMBL25614522 0.68 DHODH (0.58) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL25614252 0.67 DHODH (0.65) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL21391594 0.66 DHODH (0.48) DHODHATP4AATP4B
SCHEMBL21391529 0.65 DHODH (0.56) DHODHATP4AATP4BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11534427-B2 Applications of novel thiazole derivative in treating inflammatory bowel diseases EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-12-27 — — US disclosed
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 (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-11534427-B2 Applications of novel thiazole derivative in treating inflammatory bowel diseases FABP2, SLC10A2, ALPI DHODH 803/4885ATP4A 1371/4885ATP4B 1783/4885
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.

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