SCHEMBL20956540

SCHEMBL20956540

COc1cccc(-c2csc(NN=Cc3ccccc3C(=O)O)n2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.76
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ CSNK2A1 P68400 1/20 0.56
▸ MAPT P10636 1/20 0.54
▸ SIRT5 Q9NXA8 1/20 0.54
▸ MAOA P21397 5/20 0.53
▸ MAOB P27338 5/20 0.53
▸ MGAM O43451 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ SI P14410 1/20 0.53
▸ MGAM2 Q2M2H8 1/20 0.53
▸ IDO1 P14902 1/20 0.52

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
SCHEMBL19631476 1.00 DHODH (0.76) DHODHMEN1KMT2AALDH1A1NPC1
SCHEMBL25614217 0.92 DHODH (0.63) DHODHMEN1KMT2AALDH1A1NPC1
SCHEMBL19631441 0.87 DHODH (1.00) DHODHMEN1KMT2AALDH1A1NPC1
SCHEMBL20956442 0.87 DHODH (1.00) DHODHMEN1KMT2AALDH1A1NPC1
SCHEMBL29911504 0.87 DHODH (1.00) DHODHMEN1KMT2AALDH1A1NPC1
SCHEMBL20956524 0.85 DHODH (0.80) DHODHNPC1RAB9ACSNK2A1MAOA
SCHEMBL29911542 0.85 DHODH (0.80) DHODHNPC1RAB9ACSNK2A1MAOA
SCHEMBL19631420 0.85 DHODH (0.80) DHODHNPC1RAB9ACSNK2A1MAOA
SCHEMBL25613829 0.85 MAOA (0.58) DHODHMEN1KMT2AALDH1A1NPC1
SCHEMBL20956482 0.85 DHODH (0.95) DHODHMEN1KMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11590109-B2 Applications of novel thiazole derivative in treating virus infection INSTITUT PASTEUR OF SHANGHAI, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-28 — — US disclosed
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
CN-107375279-B Use of novel thiazole derivatives for the treatment of inflammatory bowel disease 华东理工大学 2022-11-01 — — CN disclosed
CN-107459496-B Use of thiazole derivatives for treating viral infections 华东理工大学 2022-07-19 — — CN 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
US-20190134008-A1 APPLICATIONS OF NOVEL THIAZOLE DERIVATIVE IN TREATING VIRUS INFECTION EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-05-09 — — US disclosed
CN-107459496-A Application of the novel thiazole analog derivative in treatment virus infection 华东理工大学 2017-12-12 — — CN disclosed
CN-107375279-A Application of the novel thiazole analog derivative in inflammatory bowel disease is treated 华东理工大学 2017-11-24 — — CN 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 (4 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 803/4885MEN1 4844/4885KMT2A 4681/4885
US-20190290620-A1 APPLICATIONS OF NOVEL THIAZOLE DERIVATIVE IN TREATING INFLAMMATORY BOWEL DISEASES FABP2, SLC10A2, ALPI DHODH 803/4885MEN1 4844/4885KMT2A 4681/4885
US-11590109-B2 Applications of novel thiazole derivative in treating virus infection HAVCR2, MAVS, EIF2AK2 DHODH 1507/4885MEN1 4251/4885KMT2A 4585/4885
US-20190134008-A1 APPLICATIONS OF NOVEL THIAZOLE DERIVATIVE IN TREATING VIRUS INFECTION HAVCR2, MAVS, EIF2AK2 DHODH 1507/4885MEN1 4251/4885KMT2A 4585/4885

“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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