SCHEMBL2407897

SCHEMBL2407897

c1csc(C2OCCO2)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
NOS1 P29475 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
FBP1 P09467 1/20 0.33
PDK1 Q15118 1/20 0.33
KIF11 P52732 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL4770134 0.92 KIF11 (0.36) ALDH1A1TSHRNOS1HSD17B10NOS3
SCHEMBL2052473 0.80 NOS3 (0.32) ALDH1A1TSHRNOS1HSD17B10NOS3
SCHEMBL27858991 0.75 PIK3C3 (0.32) ALDH1A1TSHRNOS1HSD17B10NOS3
SCHEMBL2050325 0.72 KIF11 (0.40) ALDH1A1TSHRNOS1HSD17B10NOS3
SCHEMBL29285276 0.71 DRD3 (0.36) ALDH1A1TSHRNOS1HSD17B10NOS3
SCHEMBL27766777 0.71 KIF11 (0.37) ALDH1A1TSHRHSD17B10NOS3NOS2
SCHEMBL12482758 0.71 MAPK1 (0.36) ALDH1A1TSHRNOS1HSD17B10NOS3
SCHEMBL498175 0.70
SCHEMBL28089091 0.70
SCHEMBL28860098 0.69 DRD4 (0.34) ALDH1A1NOS3NOS2KIF11POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713319-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF Insilico Medicine IP Limited (HK) 2026-03-25 EP disclosed
WO-2024236528-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-11-21 WO disclosed
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 US disclosed
WO-2022173795-A1 OXADIAZOLYL DIHYDROPYRANO[2,3-b]PYRIDINE INHIBITORS OF HIPK2 FOR TREATING KIDNEY FIBROSIS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-08-18 WO disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
CN-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 CN disclosed
EP-3590942-B1 HEPATITIS B VIRUS SURFACE ANTIGEN INHIBITOR FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-06-09 EP disclosed
US-11008331-B2 Hepatitis B virus surface antigen inhibitor FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2021-05-18 US disclosed
US-20200039995-A1 HEPATITIS B VIRUS SURFACE ANTIGEN INHIBITOR FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2020-02-06 US disclosed
US-10479771-B2 Pyridazinone and pyridone compounds BIOTIE THERAPIES CORPORATION (FI) 2019-11-19 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 EP disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-7189851-B2 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
WO-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO disclosed
US-5604224-A NEURODEGENERATIVE DISORDERS STERLING WINTHROP INC. (US) 1997-02-18 US disclosed
US-5569655-A Substituted heterocyclylisoquinolinium salts and compositions and method of use thereof STERLING WINTHROP INC. (US) 1996-10-29 US disclosed
EP-0647641-A1 Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof STERLING WINTHROP INC. (US) 1995-04-12 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 (7 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-20200039995-A1 HEPATITIS B VIRUS SURFACE ANTIGEN INHIBITOR HAVCR2, CD74, HLA-B ALDH1A1 110/4885TSHR 4080/4885NOS1 1890/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV ALDH1A1 504/4885TSHR 1975/4885NOS1 3766/4885
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists CALCRL, CALCR, CALCB ALDH1A1 4200/4885TSHR 217/4885NOS1 2108/4885
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 ALDH1A1 889/4885TSHR 592/4885NOS1 1168/4885
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 ALDH1A1 842/4885TSHR 4192/4885NOS1 25/4885
US-10479771-B2 Pyridazinone and pyridone compounds XDH, PNPO, PDXK ALDH1A1 259/4885TSHR 1358/4885NOS1 1466/4885
US-11008331-B2 Hepatitis B virus surface antigen inhibitor HAVCR2, CD74, HLA-B ALDH1A1 110/4885TSHR 4080/4885NOS1 1890/4885

“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.