SCHEMBL2643409

SCHEMBL2643409

COc1ccc2cc(-c3cc(-c4cc(C(F)(F)F)ccc4O)nn3CCc3ccc(C(=O)O)cc3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.49
GIPR P48546 4/20 0.49
TP53 P04637 7/20 0.44
MDM2 Q00987 7/20 0.44
KDM4E B2RXH2 2/20 0.43
PTGER4 P35408 1/20 0.43
VIPR2 P41587 1/20 0.42
GLP1R P43220 1/20 0.42
SUV39H1 O43463 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
PRMT1 Q99873 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40

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
SCHEMBL4617619 0.82 GCGR (0.68) GCGRGIPRVIPR2GLP1R
SCHEMBL2643224 0.82 GCGR (0.68) GCGRGIPRVIPR2GLP1R
SCHEMBL23927784 0.82 GCGR (0.74) GCGRGIPRVIPR2GLP1R
SCHEMBL2642906 0.76 GCGR (0.61) GCGRGIPRVIPR2GLP1R
SCHEMBL2643243 0.75 GCGR (0.67) GCGRGIPRVIPR2GLP1R
SCHEMBL2657857 0.74 GCGR (0.80) GCGRGIPRVIPR2GLP1R
SCHEMBL2644894 0.74 GCGR (0.80) GCGRGIPRVIPR2GLP1R
SCHEMBL2643194 0.72 GCGR (0.66) GCGRGIPRVIPR2GLP1R
SCHEMBL2643139 0.70 GCGR (0.53) GCGRGIPRTP53MDM2VIPR2
SCHEMBL13619468 0.70 GCGR (0.59) GCGRGIPRVIPR2GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088070-A1 Pyrazole derivatives, compositions containing such compounds and methods of use PARMEE EMMA R 2007-04-19 US 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-20070088070-A1 Pyrazole derivatives, compositions containing such compounds and methods of use PC, GOT2, PNLIP GCGR 188/4885GIPR 205/4885TP53 1937/4885

“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.