SCHEMBL7799731

SCHEMBL7799731

CC=Cc1c(Oc2cccc(F)c2C(=O)OCC)ccc2c1OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
AOC3 Q16853 1/20 0.36
PRKCI P41743 1/20 0.35
PRKCZ Q05513 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL7791675 0.82 RAB9A (0.39) MGAMAMY1AGAASIMGAM2
SCHEMBL7791677 0.82 RAB9A (0.39) MGAMAMY1AGAASIMGAM2
SCHEMBL7799732 0.78 AOC3 (0.36) AOC3CYP3A4TDP1TP53
SCHEMBL7790974 0.77 MAPT (0.50) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL7802116 0.74 KMT2A (0.38) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL7802111 0.74 KMT2A (0.38) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL7791773 0.72 PRKCZ (0.42) GAANPC1RAB9AMAPTKDM4E
SCHEMBL7791771 0.72 PRKCZ (0.42) GAANPC1RAB9AMAPTKDM4E
SCHEMBL7791661 0.71 MAPT (0.45) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL7797779 0.71 MAPT (0.48) MGAMAMY1AGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MGAM 4838/4885AMY1A 4157/4885GAA 4539/4885

“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.