SCHEMBL6561352

SCHEMBL6561352

COc1cc(C)nc(S(C)(=O)=O)n1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.78
LMNA P02545 1/20 0.78
TSHR P16473 3/20 0.45
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.40
CYP1A2 P05177 3/20 0.40
MEN1 O00255 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTT P42858 2/20 0.38
HIF1A Q16665 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1067726 0.88 SMN1; SMN2 (1.00) SMN1; SMN2LMNATSHRALDH1A1KMT2A
SCHEMBL31527791 0.81 SMN1; SMN2 (0.52) SMN1; SMN2LMNATSHRALDH1A1KMT2A
SCHEMBL1051087 0.81 LMNA (0.52) SMN1; SMN2LMNATSHRALDH1A1KMT2A
SCHEMBL5360302 0.81 LMNA (0.78) SMN1; SMN2LMNATSHRALDH1A1KMT2A
SCHEMBL8666206 0.81 SMN1; SMN2 (0.78) SMN1; SMN2LMNAALDH1A1KMT2ACYP1A2
SCHEMBL8869963 0.80 LMNA (0.50) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL6806477 0.79 LMNA (0.75) SMN1; SMN2LMNAALDH1A1KMT2ACYP1A2
SCHEMBL6744329 0.79 LMNA (0.49) SMN1; SMN2LMNAALDH1A1KMT2ACYP1A2
SCHEMBL9432383 0.77 SMN1; SMN2 (0.70) SMN1; SMN2LMNATSHRALDH1A1KMT2A
SCHEMBL9432808 0.77 LMNA (0.70) SMN1; SMN2LMNAALDH1A1KMT2ACYP1A2

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
US-20080108813-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2008-05-08 US disclosed
EP-0892786-B1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE ABBOTT GMBH & CO KG (DE) 2004-06-09 EP disclosed
US-6670367-B1 Vasodilator; hypertension; surprisingly show antagonistic action on the neurokinin receptor; 2-(4-Methoxy-6-methyl-2-pyrimidinyloxy)-3-(2-(3,4- dimethoxyphenyl)ethoxy)-3,3-diphenylpropionic Acid ABBOTT GMBH & CO., KG (DE) 2003-12-30 US disclosed
US-6610691-B1 Inhibit binding of endothelin to receptor; treating hypertension BASF AKTIENGESELLSCHAFT (DE) 2003-08-26 US disclosed
US-6509341-B1 The invention relates to carboxylic acid derivatives of formula (I), wherein the substituents have the meaning as commented in the description. It also relates to the production and use of same as endothelin receptor antagonists. ABBOTT LABORATORIES 2003-01-21 US disclosed
EP-0994861-A1 NEW $g(b)-AMINO AND $g(b)-AZIDOCARBOXYLIC ACID DERIVATIVES, THE PRODUCTION THEREOF AND THE USE THEREOF AS ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2000-04-26 EP disclosed
EP-0929529-A2 AZINYLOXY, AND PHENOXY-DIARYL-CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS MIXED ET A?/ET B? ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
EP-0892786-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1999-01-27 EP disclosed
WO-1998058916-A1 NEW β-AMINO AND β-AZIDOCARBOXYLIC ACID DERIVATIVES, THE PRODUCTION THEREOF AND THE USE THEREOF AS ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1998-12-30 WO disclosed
WO-1998009953-A2 AZINYLOXY-AND PHENOXY-DIARYL-CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS MIXED ETA/ETB ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1998-03-12 WO disclosed
EP-0355385-B1 SUBSTITUTED 4-SULPHONYLAMINO-2-AZINYL-1,2,4-TRIAZOL-3-ONES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1993-05-19 EP disclosed
EP-0532948-A1 Substituted cycloalkenes as herbicides BAYER AG (DE) 1993-03-24 EP disclosed
US-5151514-A Triazine substituted herbicides BAYER AKTIENGESELLSCHAFT (DE) 1992-09-29 US disclosed
US-5142060-A Herbicidal substituted 4-sulphonylamino-2-azinyl-1,2,4-triazol-3-ones BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-5089627-A Chemical intermediates therefor BAYER AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-5085687-A HERBICIDAL SUBSTITUTED 4-SULPHONYLAMINO-2-AZINYL-1,2,4-TRIAZOL-3-ONES BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
US-4988381-A HERBICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
EP-0355385-A1 Substituted 4-sulphonylamino-2-azinyl-1,2,4-triazol-3-ones, process and intermediates for their preparation and their use as herbicides BAYER AG (DE) 1990-02-28 EP disclosed
US-4711959-A REACTING 2-ALKYLSULPHONYL-PYRIMIDINE WITH CYANAMIDE OR METAL SALT OF CYANAMIDE BAYER AKTIENGESELLSCHAFT (DE) 1987-12-08 US disclosed
EP-0209779-A2 Process for the preparation of 2-cyanaminopyrimidine derivatives BAYER AG (DE) 1987-01-28 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 (1 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-20080108813-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES C1S, CYP2S1, SULT2A1 SMN1; SMN2 2811/4885LMNA 2402/4885TSHR 1866/4885

“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.