SCHEMBL4654289

SCHEMBL4654289

COc1cc(SC)ccc1C(=O)Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.63
▸ HPGD P15428 8/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ POLB P06746 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ NPC1 O15118 6/20 0.57
▸ RAB9A P51151 6/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ KMT2A Q03164 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ NLRP3 Q96P20 1/20 0.53

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
SCHEMBL10713228 0.86 HPGD (0.51) GAAHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL1018591 0.84 GAA (0.65) GAAHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL503977 0.84 GAA (0.65) GAAHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL10853358 0.80 HPGD (0.49) GAAHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL7293033 0.79 GAA (0.58) GAAHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL8581819 0.78 HPGD (0.62) GAAHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL1423874 0.77 FLT1 (0.55) ALDH1A1POLBLMNARAB9AKMT2A
SCHEMBL3291689 0.77 TSHR (0.50) GAAALDH1A1LMNATSHRNPC1
SCHEMBL220681 0.77 NPC1 (0.64) GAAHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL11756782 0.77 ACHE (0.52) GAAHPGDALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1352901-B1 Process for the preparation of cyclic diketones SYNGENTA PARTICIPATIONS AG (CH) 2008-10-01 — — EP disclosed
US-7135574-B2 Converting substituted mono or bicyclic lactones in presence of an amine base and a catalytic amount of a cyanide or alkali or alkaline metal alcoholate, to a salt, reacting the salt with carbonyl compound containing an organic substituent SYNGENTA CROP PROTECTION, INC. (US) 2006-11-14 — — US disclosed
US-20050159314-A1 Process for the preparation of cyclic diketones SCHNEIDER HERMANN (CH) 2005-07-21 — — US disclosed
US-6855831-B2 Process for the preparation of cyclic diketones SYNGENTA CROP PROTECTION, INC. (US) 2005-02-15 — — US disclosed
US-20030199708-A1 Process for the preparation of cyclic diketones SYNGENTA CROP PROTECTION, INC. 2003-10-23 — — US disclosed
EP-1352901-A2 Process for the preparation of cyclic diketones Syngenta Participations AG (CH) 2003-10-15 — — EP disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 — — US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 — — US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 — — US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 — — US disclosed
EP-0496630-A1 2-Cyano-1,3-dione herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1992-07-29 — — EP disclosed
US-4722929-A Novel 2-phenyl-imidazoles and pharmaceutical compositions containing same DR. KARL THOMAE GMBH (DE) 1988-02-02 — — US disclosed
EP-0209707-A2 2-Aryl imidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-01-28 — — EP disclosed
US-4568680-A LOWERRS BLOOD PRESSURE, HYPOTENSIVE ACTIVITY DR. KARL THOMAE GMBH (DE) 1986-02-04 — — US disclosed
EP-0149131-A2 Imidazo (4,5-c) pyridinones, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1985-07-24 — — EP disclosed
EP-0149200-A1 Novel 2-pnenyl-imidazoles, their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1985-07-24 — — EP disclosed
EP-0024290-B1 8-PHENYL PURINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1982-12-22 — — EP disclosed
US-4299834-A INOTROPIC ACTIVITY BOEHRINGER INGELHEIM GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-11-10 — — US disclosed
EP-0024290-A1 8-Phenyl purines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-03-04 — — EP disclosed
US-4176184-A CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS BOEHRINGER INGELHEIM GMBH (DE) 1979-11-27 — — 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 (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-20030199708-A1 Process for the preparation of cyclic diketones XDH, NDUFS6, SQOR GAA 402/4885HPGD 790/4885ALDH1A1 1681/4885
US-20050159314-A1 Process for the preparation of cyclic diketones NDUFS6, NDUFS4, NDUFV1 GAA 508/4885HPGD 651/4885ALDH1A1 1935/4885

“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.

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