SCHEMBL4631386

SCHEMBL4631386

Cc1cc(C)c(N)c(C(=O)C2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
TAS1R2 Q8TE23 3/20 0.43
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
EPHX2 P34913 4/20 0.39
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 2/20 0.38
BCL2L1 Q07817 1/20 0.38
KMT2A Q03164 2/20 0.37
UCHL1 P09936 1/20 0.37
MEN1 O00255 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
SCHEMBL4631531 0.92 KDM4E (0.59) KDM4ETAS1R3TAS1R1TAS1R2NPSR1
SCHEMBL9820655 0.82 BCL2L1 (0.44) TAS1R3TAS1R1TAS1R2NPSR1LMNA
SCHEMBL9820552 0.78 CNR1 (0.44) KDM4ETAS1R3TAS1R1TAS1R2NPSR1
SCHEMBL5283531 0.77 NPC1 (0.45) TAS1R3TAS1R1TAS1R2NPSR1MAPT
SCHEMBL1342546 0.77 KMT2A (0.47) NPSR1LMNAMAPTCYP2C19TP53
SCHEMBL1339192 0.75 MAPT (0.46) NPSR1LMNAMAPTCYP2C19TP53
SCHEMBL3909614 0.74 KMT2A (0.47) NPSR1MAPTCYP2C19GAAKMT2A
SCHEMBL9820571 0.73 LMNA (0.41) KDM4ETAS1R3TAS1R1TAS1R2NPSR1
SCHEMBL13696934 0.73 NPC1 (0.43) TAS1R3TAS1R1TAS1R2NPSR1LMNA
SCHEMBL1342269 0.72 MAPT (0.46) NPSR1LMNAMAPTTP53GAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1498418-B1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC (US) 2008-05-21 EP disclosed
EP-0980369-B1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS ENCYSIVE PHARMACEUTICALS INC (US) 2005-03-30 EP disclosed
EP-1498419-A1 Process for preparing alkali metal salts of hydrophobic sulfonamides ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 EP disclosed
EP-1498418-A1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 EP disclosed
US-6683103-B2 SULFONAMIDES CONTAINING OXAZOLE AND SUBSTITUTED THIOPHENE RINGS, USEFUL FOR TREATING HYPERTENSION, CARDIOVASCULAR DISEASE, ASTHMA, PULMONARY HYPERTENSION, INFLAMMATORY DISEASES, VISION DEFECTS, MENSTRUAL DISORDERS, RENAL FAILURE TEXAS BIOTECHNOLOGY CORPORATION 2004-01-27 US disclosed
US-6432994-B1 CARDIOVASCULAR DISORDERS, GLAUCOMA; ANTIINFLAMMATORY, WOUND HEALING, HYPOTENSIVE, ANTIASTHMATIC, AND ANTIANAPHYLACTIC AGENTS TEXAS BIOTECHNOLOGY CORPORATION 2002-08-13 US disclosed
US-20020091270-A1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. 2002-07-11 US disclosed
EP-0980369-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-02-23 EP disclosed
WO-1998049162-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-05 WO 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-20020091270-A1 Sulfonamides for treatment of endothelin-mediated disorders EDNRA, ECE1, EDNRB KDM4E 1188/4885TAS1R3 452/4885TAS1R1 570/4885

“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.