SCHEMBL1017780

SCHEMBL1017780

Cc1cc(S(C)(=O)=O)ccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
RXRB P28702 2/20 0.44
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
RXRA P19793 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ENPP2 Q13822 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42

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
SCHEMBL27891624 0.86 LMNA (0.49) LMNAALDH1A1AKR1C3AKR1C2MEN1
SCHEMBL2807317 0.86 APEX1 (0.53) LMNAALDH1A1RXRBRXRAHSD17B10
SCHEMBL35247 0.85 LMNA (0.66) LMNAALDH1A1MAPK1AKR1C3AKR1C2
SCHEMBL1482128 0.85 LMNA (0.47) LMNAALDH1A1MEN1KMT2AENPP2
SCHEMBL3496072 0.85 ALDH1A1 (0.58) LMNAALDH1A1RXRBRXRAHSD17B10
SCHEMBL8962352 0.84 LMNA (0.70) LMNAALDH1A1MAPK1AKR1C3AKR1C2
SCHEMBL31637076 0.83 RXRB (0.45) LMNAALDH1A1RXRBRXRAHSD17B10
SCHEMBL1048077 0.83 CA2 (0.55) ALDH1A1HSD17B10PHLPP2
SCHEMBL1279551 0.83 LMNA (0.46) LMNAALDH1A1RXRBRXRAHSD17B10
SCHEMBL27462999 0.83 LMNA (0.50) LMNAALDH1A1AKR1C3AKR1C2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775715-A High-strength glass fiber reinforced plastic for composite cylindrical shell and preparation method thereof 新乡学院 2025-04-08 CN claimed
CN-119775715-A High-strength glass fiber reinforced plastic for composite cylindrical shell and preparation method thereof 新乡学院 2025-04-08 CN disclosed
CN-114206335-B KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2025-03-11 CN disclosed
US-20250059220-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2025-02-20 US disclosed
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 US disclosed
EP-4446314-A2 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2024-10-16 EP disclosed
CN-112313209-B Herbicidal compounds 先正达农作物保护股份公司 2024-07-26 CN disclosed
EP-3962479-B1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2024-07-24 EP disclosed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230303487-A1 PROCESS FOR PREPARATION OF MESOTRIONE AND ITS INTERMEDIATES RALLIS INDIA LIMITED (IN) 2023-09-28 US disclosed
CN-101072755-A Pyridyl inhibitors of Hedgehog signaling GENENTECH INC (US) 2007-11-14 CN disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 WO disclosed
US-20020111369-A1 Aryl sulfonic acids and derivatives as FSH antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-08-15 US disclosed
US-6355633-B1 CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed
WO-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 WO disclosed
US-4990648-A Process for producing an alkylthiobenzoate ICI AMERICAS INC. (US) 1991-02-05 US disclosed
WO-1990006915-A1 PROCESS FOR PRODUCING 2-ALKYL- AND 2-(SUBSTITUTED ALKYL)-4-ALKYLTHIO AND ALKYLSULFONYL-BENZOIC ACIDS AND THEIR DERIVATIVES ICI AMERICAS INC. (US) 1990-06-28 WO disclosed
US-4925970-A Process for producing cyclohexadiene thioether ICI AMERICAS INC., A CORP. OF DE. 1990-05-15 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 (6 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-20230303487-A1 PROCESS FOR PREPARATION OF MESOTRIONE AND ITS INTERMEDIATES COMT, NDUFS3, NDUFS7 LMNA 4549/4885ALDH1A1 570/4885MAPK1 2739/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO LMNA 3718/4885ALDH1A1 2371/4885MAPK1 118/4885
US-20020111369-A1 Aryl sulfonic acids and derivatives as FSH antagonists FSHR, GNRHR, LHCGR LMNA 3330/4885ALDH1A1 3990/4885MAPK1 1934/4885
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 LMNA 1142/4885ALDH1A1 1572/4885MAPK1 3904/4885
US-20250059220-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF SULT1E1, TPMT, SULT1A1 LMNA 4754/4885ALDH1A1 211/4885MAPK1 3968/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO LMNA 3716/4885ALDH1A1 2407/4885MAPK1 128/4885

“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.