SCHEMBL5211767

SCHEMBL5211767

CC(=O)c1c(C)c(C)cc(C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.40
THRB P10828 2/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 1/20 0.37
CISD2 Q8N5K1 2/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3735175 0.84 CYP3A4 (0.47) CYP3A4THRBHSD17B10KMT2AHPGD
SCHEMBL10660689 0.83 KDM4E (0.48) CYP3A4KDM4EALDH1A1TP53TDP1
SCHEMBL19570319 0.83 THRB (0.40) CYP3A4THRBKDM4EALDH1A1TP53
SCHEMBL29169638 0.78 THRB (0.43) CYP3A4THRBKDM4EALDH1A1TP53
SCHEMBL30721628 0.78 THRB (0.43) CYP3A4THRBKDM4EALDH1A1TP53
SCHEMBL14541314 0.78 CYP3A4 (0.42) CYP3A4KDM4EALDH1A1TP53TDP1
SCHEMBL28388878 0.76 CYP3A4 (0.41) CYP3A4THRBKDM4EALDH1A1TP53
SCHEMBL7953582 0.75 CYP3A4 (0.44) CYP3A4THRBALDH1A1TSHRHSD17B10
Acetic Acid SCHEMBL28200831 0.75 KDM4E (0.43) CYP3A4KDM4EALDH1A1TP53TDP1
SCHEMBL697556 0.74 CYP3A4 (0.40) CYP3A4THRBALDH1A1KMT2AHPGD

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-1533311-B1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC (US) 2007-04-25 EP disclosed
EP-1533311-B1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC (US) 2007-04-25 EP disclosed
EP-1533311-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. (US) 2005-05-25 EP disclosed
EP-1244657-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-12-29 EP disclosed
US-6686382-B2 N-(ISOXAZOLYL)THIENYLSULFONAMIDES, N-(ISOXAZOLYL)FURYLSULFONAMIDES, N-(ISOXAZOLYL)PYRROLYLSULFONAMIDES AND N-(ISOXAZOLYL)PHENYLSULFONAMIDES; INHIBIT ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2004-02-03 US disclosed
EP-1244657-A2 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-10-02 EP disclosed
US-20010056183-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-27 US disclosed
WO-2001049685-A2 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 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-20010056183-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 CYP3A4 2569/4885THRB 1445/4885KDM4E 2262/4885

“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.