SCHEMBL87613

SCHEMBL87613

C1=Cc2ccccc2CS1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.31

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
SCHEMBL15902750 1.00 PARP1 (0.39) PARP1ACHECA1CA2TSHR
SCHEMBL8641995 0.98 PARP1 (0.38) PARP1ACHECA1CA2
Water SCHEMBL28329751 0.98 PARP1 (0.38) PARP1ACHECA1CA2
SCHEMBL328812 0.80
SCHEMBL17277710 0.68 PARP1 (0.36) PARP1CA1CA2
SCHEMBL7178787 0.68
SCHEMBL20511816 0.66 PARP1 (0.46) PARP1ACHECA1CA2TSHR
SCHEMBL20511815 0.66 PARP1 (0.46) PARP1ACHECA1CA2TSHR
SCHEMBL9388020 0.66
SCHEMBL31586332 0.66 TRPA1 (0.50) PARP1CA1CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109776489-A The method of copper catalysis bis- sulphur -3- 40 thione derivatives of phenylpropyl alcohol ynamine sulphur Cyclization 1,2- 温州大学 2019-05-21 CN claimed
US-8809010-B2 Method for prophylactic treatment of alzheimer's disease using inhibitors of glutaminyl cyclase and glutamate cyclases PROBIODRUG AG (DE) 2014-08-19 US claimed
US-8338120-B2 Anticancer agents; therapy for infections; administering glutaminyl cyclase inhibitor such as 1-(3-(1H-imidazole-1-yl)propyl)-3-(3,4-dimethoxy-phenyl)thiourea hydrochloride; Alzheimer's disease; Down syndrome; controlling fertility; schizophrenia; skin disorders; dementia PROBIODRUG AG (DE) 2012-12-25 US claimed
US-20120184518-A1 METHODS OF TREATING OR PREVENTING AN INFLAMMATORY DISEASE OR CONDITION USING GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2012-07-19 US claimed
US-7732162-B2 Inhibitors of glutaminyl cyclase for treating neurodegenerative diseases PROBIODRUG AG (DE) 2010-06-08 US claimed
US-20100040575-A1 USE OF INHIBITORS OF GLUTAMINYL CYCLASE AND GLUTAMATE CYCLASE FOR TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES PROBIODRUG AG (DE) 2010-02-18 US claimed
CN-101490030-A Novel benzopyran and 1, 2-benzothiopyranamide derivatives, preparation thereof and therapeutic use thereof PF MEDICAMENT (FR) 2009-07-22 CN claimed
CN-101460458-A Indole-3-carboxylic acid amide, ester, thioamide and thiol ester compounds bearing aryl or heteroaryl groups having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN INC (US) 2009-06-17 CN claimed
US-20090068699-A1 USE OF GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2009-03-12 US claimed
US-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES PROBIODRUG AG (DE) 2007-08-16 US claimed
CN-1039904-C Herbicides RHONE POULENC AGRICULTURE (GB) 1998-09-23 CN claimed
US-20250282621-A1 CARBON NANOTUBE COMPOSITE COMPRISING MECHANICAL L IGANDS NANOCORE APS (DK) 2025-09-11 US disclosed
US-12227625-B2 Composite materials comprising mechanical ligands NANOCORE APS (DK) 2025-02-18 US disclosed
US-11834559-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2023-12-05 US disclosed
WO-2023001506-A1 CARBON NANOTUBE COMPOSITE COMPRISING MECHANICAL LIGANDS NANOCORE APS (DK) 2023-01-26 WO disclosed
US-5858766-A CONTACTING HEAVY CRUDE OIL WITH SPECIFIED BACTERIAL STRAINS TO REDUCE CONTENT OF SULFUR, NITROGEN AND TRACE METALS AND INCREASE CONTENT OF SATURATED HYDROCARBONS BROOKHAVEN SCIENCE ASSOCIATES (US) 1999-01-12 US disclosed
CN-1039904-C Herbicides RHONE POULENC AGRICULTURE (GB) 1998-09-23 CN disclosed
US-5492828-A ENHANCED OIL RECOVERY BY GRWOING THERMOPHILIC MICROBIAL STRAINS IN A MEDIUM WHERE CRUDE OIL IS SUPPLEMENTED WITH CARBON SOURCE, ISOLATION, GROWING THEM IN A MEDIUM CONTANING CRUDE OIL AND CARBON SOURCE IN LOWER AMOUNT, ASSOCIATED UNIVERSITIES, INC. (US) 1996-02-20 US disclosed
CN-1104212-A Herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-28 CN disclosed
US-5297625-A For the recovery of oil from an underground oil bearing reservoir ASSOCIATED UNIVERSITIES, INC. (US) 1994-03-29 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 (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-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES GLS, QPCT, GLS2 PARP1 2532/4885ACHE 799/4885CA1 3219/4885
US-20100040575-A1 USE OF INHIBITORS OF GLUTAMINYL CYCLASE AND GLUTAMATE CYCLASE FOR TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES QPCT, GLS, GLUL PARP1 2248/4885ACHE 87/4885CA1 2371/4885
US-20090068699-A1 USE OF GLUTAMINYL CYCLASE INHIBITORS QPCT, GGCT, GLS PARP1 1828/4885ACHE 943/4885CA1 2961/4885
US-20120184518-A1 METHODS OF TREATING OR PREVENTING AN INFLAMMATORY DISEASE OR CONDITION USING GLUTAMINYL CYCLASE INHIBITORS QPCT, GGCT, GLUL PARP1 564/4885ACHE 845/4885CA1 363/4885

“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.