SCHEMBL3634004

SCHEMBL3634004

Cc1cc(C)cc(C(=O)CN)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.52
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
C1S P09871 1/20 0.44
PRSS3 P35030 1/20 0.44
LMNA P02545 1/20 0.42
HCAR1 Q9BXC0 1/20 0.40
HPGD P15428 1/20 0.39
PARP1 P09874 1/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
PARP10 Q53GL7 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 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
SCHEMBL28056338 0.86 TPMT (0.39) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL14139168 0.82 TPMT (0.48) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL11974562 0.80 TPMT (0.56) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL30089552 0.80 TPMT (0.56) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL30839493 0.79 PARP1 (0.62) LMNAHPGDPARP1MAPTKMT2A
SCHEMBL6934563 0.79 PARP1 (0.62) LMNAHPGDPARP1MAPTKMT2A
SCHEMBL13704015 0.78 KAT6A (0.43) PRSS1GAAMAPTKMT2AALDH1A1
SCHEMBL7266611 0.78 TPMT (0.54) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL9720617 0.78 TPMT (0.54) TPMTPRSS1PRSS2C1SPRSS3
Hydrochloric Acid SCHEMBL6110148 0.77 PARP1 (0.60) LMNAHPGDPARP1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863308-B2 Substituted thiophenes AUSPEX PHARMACEUTICALS, INC. (US) 2011-01-04 US disclosed
US-20100280086-A1 SUBSTITUTED THIOPHENES AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-04 US disclosed
EP-2144903-A1 SUBSTITUTED DEUTERIUM ENRICHED THIOPHENES FOR THE TREATMENT OF HYPERTENSION Auspex Pharmaceuticals Inc. (US) 2010-01-20 EP disclosed
WO-2008124803-A1 SUBSTITUTED DEUTERIUM ENRICHED THIOPHENES FOR THE TREATMENT OF HYPERTENSION AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
US-20080255036-A1 Deuterated thiophene derivatives such as d2-2-[2-(6-methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; for modulating endothelin receptors; for treating, preventing, or ameliorating one or more symptoms of an endothelin-mediated disorder AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-16 US disclosed
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 (3 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 TPMT 96/4885PRSS1 23/4885PRSS2 22/4885
US-20100280086-A1 SUBSTITUTED THIOPHENES EDNRB, ECE1, EDNRA TPMT 66/4885PRSS1 1626/4885PRSS2 2608/4885
US-20080255036-A1 Deuterated thiophene derivatives such as d2-2-[2-(6-methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; for modulating endothelin receptors; for treating, preventing, or ameliorating one or more symptoms of an endothelin-mediated disorder EDNRA, EDNRB, TBXA2R TPMT 631/4885PRSS1 1900/4885PRSS2 2079/4885

“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.