Sugi Predict

Sugi Predict / Compounds / SCHEMBL3370090

SCHEMBL3370090

SCHEMBL3370090

CC(C)(C)c1ccc(C(N)=S)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HDAC1 Q13547 1/20 0.48
▸ SLC22A2 O15244 1/20 0.48
▸ SLC22A1 O15245 1/20 0.48
▸ SLC22A3 O75751 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TYR P14679 1/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL2206586 0.79 HTT (0.62) HTTSMN1; SMN2LMNAMAPTTSHR
SCHEMBL8648310 0.78 SRD5A2 (0.54) HTTHDAC1LMNATYRRAB9A
SCHEMBL11699186 0.78 MAPT (0.50) HTTHDAC1LMNATYRRAB9A
SCHEMBL3590702 0.76 GABRA1 (0.48) HTTSMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL284242 0.76 EPHX2 (0.66) HTTSMN1; SMN2HDAC1RAB9ASRD5A2
SCHEMBL421322 0.76 NQO2 (0.60) HDAC1SLC22A2SLC22A1SLC22A3LMNA
SCHEMBL12163592 0.76 HDAC1 (0.48) HTTHDAC1SLC22A2SLC22A1SLC22A3
SCHEMBL261282 0.76 CES2 (0.54) HTTSMN1; SMN2LMNASRD5A2ALDH1A1
SCHEMBL4984479 0.76 HDAC1 (0.48) HDAC1LMNATYRRAB9ASRD5A2
SCHEMBL14819017 0.76 ALDH1A1 (0.61) HTTSMN1; SMN2HDAC1LMNARAB9A

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 — — EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 — — EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 — — WO claimed
WO-2023142996-A1 METHOD FOR PREVENTING OR TREATING DISEASE OR DISORDER ASSOCIATED WITH ANTINEOPLASTIC AGENT 上海岸阔医药科技有限公司 2023-08-03 — — WO disclosed
US-10450260-B2 NO- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2019-10-22 — — US disclosed
US-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 — — US disclosed
US-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 — — US disclosed
US-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2018-11-08 — — US disclosed
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 — — US disclosed
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 — — US disclosed
US-9801861-B2 Antimicrobial substituted thiazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2017-10-31 — — US disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 — — WO disclosed
US-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2003-10-30 — — US disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 — — EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 — — WO disclosed
EP-0842162-A1 1,3-OXA(THIA)ZINE DERIVATIVES BAYER AG (DE) 1998-05-20 — — EP disclosed
WO-1997001546-A1 1,3-OXA(THIA)ZINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-16 — — WO disclosed
US-5182402-A 2-Phenylthiazolecarboxylic Acids and Esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-26 — — US disclosed
US-5084083-A Phenylthiazolecarboxylic acid derivative herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 — — US disclosed
EP-0368592-A1 Herbicidal compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-16 — — 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 (5 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-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus GPR119, INSR, SLC5A1 HTT 3029/4885SMN1; SMN2 3022/4885HDAC1 655/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 HTT 1327/4885SMN1; SMN2 2196/4885HDAC1 1307/4885
US-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF TPMT, TST, CLPP HTT 2765/4885SMN1; SMN2 2885/4885HDAC1 2299/4885
US-10023555-B2 NSAIDs derivatives and uses thereof PTGES, PTGES3, PTGS1 HTT 1313/4885SMN1; SMN2 2630/4885HDAC1 2716/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP HTT 3052/4885SMN1; SMN2 3041/4885HDAC1 2241/4885

“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.