SCHEMBL3964971

SCHEMBL3964971

O=C(O)C(C(=O)O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 2/20 0.56
GRM6 O15303 2/20 0.56
GRM4 Q14833 2/20 0.56
AR P10275 6/20 0.52
CYP3A4 P08684 3/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CES2 O00748 1/20 0.52
ABCB11 O95342 1/20 0.52
GLA P06280 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
ALOX15 P16050 1/20 0.52
TBXA2R P21731 1/20 0.52
AADAC P22760 1/20 0.52

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
SCHEMBL3964959 1.00 GRM8 (0.56) GRM8GRM6GRM4ARCYP3A4
SCHEMBL28512440 0.88 GRM8 (0.53) GRM8GRM6GRM4ARCYP3A4
SCHEMBL2746779 0.81 AR (0.49) GRM8GRM6GRM4ARCYP3A4
SCHEMBL3658872 0.80 AKR1C3 (0.56) GRM8GRM6GRM4ARCYP3A4
SCHEMBL2937777 0.80 ATM (0.53) GRM8GRM6GRM4LMNACYP1A2
SCHEMBL2937770 0.80 ATM (0.53) GRM8GRM6GRM4LMNACYP1A2
SCHEMBL10629315 0.80 AR (0.56) GRM8GRM6GRM4ARCYP3A4
SCHEMBL9727361 0.78 AR (0.55) GRM8GRM6GRM4ARCYP3A4
SCHEMBL16952504 0.77 AR (0.53) GRM8GRM6GRM4ARCYP3A4
SCHEMBL16952607 0.77 GRM8 (0.48) GRM8GRM6GRM4ARCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed
EP-2081896-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-07-29 EP disclosed
WO-2008061955-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-05-29 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-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS PTGER4, PTGER3, HTR4 GRM8 571/4885GRM6 698/4885GRM4 128/4885

“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.