SCHEMBL7797718

SCHEMBL7797718

CSc1nc(Oc2ccc3c(c2)OCO3)cc(Oc2ccc3c(c2C(=O)O)OCO3)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.36
NOS2 P35228 4/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
SRD5A2 P31213 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7790976 0.93 MEN1 (0.35) TSHRLMNAKMT2ANPSR1MAPT
SCHEMBL7800572 0.82 ALDH1A1 (0.49) TSHRLMNAKMT2ANPSR1MAPT
SCHEMBL7800581 0.82 KMT2A (0.41) TSHRLMNAKMT2ANPSR1MAPT
SCHEMBL7797707 0.77 ALDH1A1 (0.43) TSHRLMNAKMT2ANPSR1MAPT
SCHEMBL9381351 0.74 ALDH1A1 (0.39) LMNANPSR1ALDH1A1
SCHEMBL8543098 0.72 MEN1 (0.34) TSHRLMNAKMT2ANPSR1MAPT
SCHEMBL19808935 0.72 ALDH1A1 (0.43) TSHRLMNAKMT2AMAPTNOS2
SCHEMBL19808932 0.72 MAPT (0.41) TSHRLMNAKMT2AMAPTNOS2
SCHEMBL7801002 0.71 MAOB (0.43) LMNAKMT2AMAPTGAAALOX15
SCHEMBL795101 0.70 MAOB (0.50) TSHRLMNAKMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876364-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-11 EP claimed
WO-1997025321-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-07-17 WO claimed
US-20010014694-A1 Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS, INC. 2001-08-16 US disclosed
US-6265428-B1 VASODILATION TEXAS BIOTECHNOLOGY CORPORATION 2001-07-24 US disclosed
US-5977117-A Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-11-02 US disclosed
EP-0876364-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-11 EP disclosed
WO-1997025321-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-07-17 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-20010014694-A1 Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, NPR1 TSHR 282/4885LMNA 1173/4885KMT2A 3982/4885

“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.