SCHEMBL2900363

SCHEMBL2900363

N[C@@H](Cc1ccc(C(F)(F)F)cc1Cl)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.52
▸ FFAR1 O14842 1/20 0.48
▸ MC4R P32245 4/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ KIF11 P52732 1/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ USP2 O75604 2/20 0.44
▸ RGS12 O14924 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ BRCA1 P38398 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ GNAI1 P63096 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2900362 1.00 GRB2 (0.52) GRB2FFAR1MC4RPTPN1KIF11
SCHEMBL5300296 0.88 GRB2 (0.52) GRB2FFAR1PTPN1KIF11USP2
SCHEMBL1312890 0.84 GRB2 (0.54) GRB2PTPN1KIF11USP2RGS12
SCHEMBL13957619 0.84 GRB2 (0.54) GRB2FFAR1PTPN1KIF11USP2
SCHEMBL1312888 0.84 GRB2 (0.54) GRB2PTPN1KIF11USP2RGS12
SCHEMBL25307602 0.83 MC4R (0.45) FFAR1MC4RMRGPRX4PDE2A
SCHEMBL7818681 0.80 GRB2 (0.45) GRB2FFAR1PTPN1KIF11USP2
SCHEMBL30152143 0.80 USP2 (0.51) USP2RGS12CYP3A4CYP2C9PKM
SCHEMBL30231991 0.80 USP2 (0.51) USP2RGS12CYP3A4CYP2C9PKM
SCHEMBL7818683 0.80 GRB2 (0.45) GRB2FFAR1PTPN1KIF11USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718802-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2010-05-18 — — US disclosed
WO-2009144432-A1 MC4-R AGONISTS FOR THE TREATMENT OF OBESITY PALATIN TECHNOLOGIES, INC. (US) 2009-12-03 — — WO disclosed
EP-1622618-A4 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES INC (US) 2008-08-27 — — EP disclosed
EP-1622618-A1 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS Palatin Technologies, Inc. (US) 2006-02-08 — — EP disclosed
US-20050176728-A1 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2005-08-11 — — US disclosed
WO-2004098602-A1 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2004-11-18 — — 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-20050176728-A1 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders MC3R, MC4R, MC1R GRB2 1421/4885FFAR1 250/4885MC4R 2/4885

“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.

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