Sugi Predict

Sugi Predict / Compounds / SCHEMBL315780

SCHEMBL315780

SCHEMBL315780

O=C(O)c1ccc(C=S)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ TSHR P16473 3/20 0.60
▸ TP53 P04637 1/20 0.60
▸ KMT2A Q03164 1/20 0.56
▸ SRD5A2 P31213 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CA2 P00918 3/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA3 P07451 1/20 0.50
▸ TYR P14679 1/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50

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
SCHEMBL7506335 0.82 SRD5A2 (0.48) ALDH1A1KMT2ASRD5A2TDP1L3MBTL1
SCHEMBL4541125 0.79 ALDH1A1 (0.61) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL6050895 0.79 CES2 (0.65) ALDH1A1TSHRKMT2ASRD5A2TDP1
SCHEMBL9681088 0.79 ALDH1A1 (0.68) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL69167 0.79 ALDH1A1 (0.68) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL8580744 0.79 ALDH1A1 (0.68) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL9681086 0.79 ALDH1A1 (0.68) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL2615887 0.79 ALDH1A1 (0.68) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL9339856 0.79 ALDH1A1 (0.68) ALDH1A1TSHRTP53KMT2ASRD5A2
SCHEMBL69166 0.79 ALDH1A1 (0.68) ALDH1A1TSHRTP53KMT2ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026938-B Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-06-28 — — CN claimed
CN-118026938-A Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-05-14 — — CN claimed
CN-118026938-B Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-06-28 — — CN disclosed
CN-118026938-A Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-05-14 — — CN disclosed
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 — — US disclosed
US-7572813-B2 Cyclic amide derivative as monocyte chemotactic protein modulator; prevention and treatment of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma; antiinflammatory agents; N-[2-[[(cis) -2-[[1- (4-Chlorophenyl)ethyl]amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 — — US disclosed
EP-1914236-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators Ortho-McNeil Pharmaceutical, Inc. (US) 2008-04-23 — — EP disclosed
US-7358261-B2 Heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-04-15 — — US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 — — US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 — — US disclosed
EP-1791549-A2 SULFONYLETHYL PHOSPHORODIAMIDATES FOR USE IN THE TREATMENT OF CANCER TELIK, INC. (US) 2007-06-06 — — EP disclosed
WO-2003087090-A2 NOVEL HETEROARYL ALKYLAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-10-23 — — WO disclosed
EP-1343751-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 — — EP disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 — — US disclosed
US-20030085383-A1 For use as gel coat, laminating resin, casting resin or moldable resin; photoluminescent, thermoluminescent and electroluminescent properties BURNELL-JONES PETER (AU) 2003-05-08 — — US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 — — WO disclosed
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-02 — — US disclosed
WO-2002060859-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 — — WO disclosed
US-4324744-A PHOTOINITIATORS BASF AKTIENGESELLSCHAFT (DE) 1982-04-13 — — US disclosed
US-4265723-A UNSATURATED POLYESTERS OR VINYL ESTERS OF POLYEPOXIDES AND A UV SENSITIZER OF AN ACYL PHOSPHINE OXIDE BASF AKTIENGESELLSCHAFT (DE) 1981-05-05 — — 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 (3 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 ALDH1A1 3346/4885TSHR 2238/4885TP53 3224/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 ALDH1A1 1095/4885TSHR 1088/4885TP53 4832/4885
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 ALDH1A1 4455/4885TSHR 655/4885TP53 11/4885

“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.