SCHEMBL3577014

SCHEMBL3577014

c1csc(Oc2nccs2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
NOS1 P29475 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FBP1 P09467 3/20 0.42
PDK1 Q15118 1/20 0.42
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
PDPK1 O15530 1/20 0.36
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
SMPD3 Q9NY59 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
GRM5 P41594 1/20 0.31
CYP2A6 P11509 1/20 0.31
CHRM5 P08912 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HTR7 P34969 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL2110045 0.79 TLR4 (0.49) ALDH1A1TSHRTLR4TLR2PDPK1
SCHEMBL303744 0.78
SCHEMBL10394210 0.78
SCHEMBL1680456 0.78
SCHEMBL10368032 0.78
SCHEMBL2931895 0.76 TLR4 (0.40) ALDH1A1TSHRNOS1HSD17B10TLR4
SCHEMBL4685740 0.76 TLR4 (0.47) TSHRTLR4TLR2PDPK1ACACB
SCHEMBL4743684 0.76 FBP1 (0.51) ALDH1A1TSHRFBP1TLR4TLR2
SCHEMBL3996307 0.76 TLR4 (0.40) ALDH1A1TSHRNOS1HSD17B10FBP1
SCHEMBL21274270 0.76 L3MBTL1 (0.44) ALDH1A1FBP1TLR4TLR2ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296922-A1 POLYSUBSTITUTED PYRROLIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI WENNAI THERAPEUTICS CO LTD (CN) 2025-09-25 US claimed
WO-2025021115-A1 POLYSUBSTITUTED PYRROLIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海闻耐医药科技有限公司 2025-01-30 WO claimed
US-12612383-B2 Polysubstituted pyrrolidine derivative, preparation method therefor and use thereof SHANGHAI WENNAI THERAPEUTICS CO., LTD. (CN) 2026-04-28 US disclosed
US-20250296922-A1 POLYSUBSTITUTED PYRROLIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI WENNAI THERAPEUTICS CO LTD (CN) 2025-09-25 US disclosed
CN-119790050-A Oxazole TRPML1 agonists and uses thereof 利布拉医疗公司 2025-04-08 CN disclosed
CN-119546588-A Pyridine checkpoint kinase 1 (CHK 1) inhibitors and uses thereof 无界生物公司 2025-02-28 CN disclosed
WO-2025021115-A1 POLYSUBSTITUTED PYRROLIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海闻耐医药科技有限公司 2025-01-30 WO disclosed
CN-118488945-A Sulfonamide ribonucleotide reductase (RNR) inhibitors and uses thereof 无界生物公司 2024-08-13 CN disclosed
CN-118434417-A Cyclic sulfonamide ribonucleotide reductase (RNR) inhibitors and uses thereof 无界生物公司 2024-08-02 CN disclosed
CN-116507626-A Compositions and methods for modulating short-chain dehydrogenase activity 罗迪奥治疗公司 2023-07-28 CN disclosed
CN-111509207-A Porous carbon-coated Co-doped MnO lithium ion battery cathode material and preparation method thereof 赵东伟 2020-08-07 CN disclosed
WO-2005123069-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC. (US) 2005-12-29 WO disclosed
CN-1146575-C Peptidyl heterocycles useful in the treatment of thrombin related disorders ��λҩƷ��˾ 2004-04-21 CN disclosed
CN-1192747-A Peptidyl heterocyclic compounds for the treatment of thrombin-related diseases ORTHO PHARMA CORP (US) 1998-09-09 CN disclosed
US-4865641-A Herbicidal new thiazolyl ether and thioether derivatives BAYER AKTIENGESELLSCHAFT (DE) 1989-09-12 US disclosed
US-4865641-A Herbicidal new thiazolyl ether and thioether derivatives BAYER AKTIENGESELLSCHAFT (DE) 1989-09-12 US disclosed
EP-0283762-A1 Thiazolyl ether and thioether derivatives BAYER AG (DE) 1988-09-28 EP disclosed
EP-0283762-A1 Thiazolyl ether and thioether derivatives BAYER AG (DE) 1988-09-28 EP disclosed
EP-0281907-A1 Thiazolyl ether and thioether derivatives BAYER AG (DE) 1988-09-14 EP disclosed
EP-0281907-A1 Thiazolyl ether and thioether derivatives BAYER AG (DE) 1988-09-14 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 (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-20250296922-A1 POLYSUBSTITUTED PYRROLIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN8A, SCN11A, TRPV1 ALDH1A1 2001/4885TSHR 3636/4885NOS1 2100/4885
US-12612383-B2 Polysubstituted pyrrolidine derivative, preparation method therefor and use thereof SCN8A, SCN11A, TRPV1 ALDH1A1 2204/4885TSHR 2586/4885NOS1 2656/4885

“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.