SCHEMBL2004222

SCHEMBL2004222

O=C(NC(CCCN1C(=O)c2ccccc2C1=O)C(=O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53
FOLH1 Q04609 2/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
ITGB3 P05106 5/20 0.48
ITGAV P06756 2/20 0.48
ITGA2B P08514 3/20 0.48
TGM2 P21980 1/20 0.47
CASP1 P29466 1/20 0.47
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
MMP2 P08253 1/20 0.46

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
SCHEMBL8968592 1.00 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL12087999 0.97 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL12088102 0.95 SIRT2 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL15827333 0.89 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL2010522 0.85 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL15827332 0.85 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL2007693 0.84 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL8387978 0.84 FOLH1 (0.65) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL10421088 0.84 FOLH1 (0.62) FOLH1SIRT2SIRT1IDO1TDO2
SCHEMBL2640680 0.81 ALDH1A1 (0.51) IDO1MMP2MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964601-B2 Agonist or antgonist and binders and inversion of agonist PALATIN TECHNOLOGIES, INC. (US) 2011-06-21 US disclosed
US-7807678-B2 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. (US) 2010-10-05 US disclosed
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
US-7456184-B2 Melanocortin receptor-specific compounds PALATIN TECHNOLOGIES INC. (US) 2008-11-25 US disclosed
US-20080234289-A1 Melanocortin Receptor-Specific Compounds PALATIN TECHNOLOGIES, INC. (US) 2008-09-25 US disclosed
EP-1622618-A4 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES INC (US) 2008-08-27 EP disclosed
US-7354923-B2 Piperazine melanocortin-specific compounds PALATIN TECHNOLOGIES, INC. (US) 2008-04-08 US disclosed
EP-1425029-A4 PEPTIDOMIMETICS OF BIOLOGICALLY ACTIVE METALLOPEPTIDES PALATIN TECHNOLOGIES INC (US) 2006-06-07 EP disclosed
EP-1622618-A1 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS Palatin Technologies, Inc. (US) 2006-02-08 EP disclosed
WO-2005102340-A1 PIPERAZINE MELANOCORTIN-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2005-11-03 WO 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
US-20040224957-A1 Melanocortin receptor-specific compounds PALATIN TECHNOLOGIES, INC. (US) 2004-11-11 US disclosed
US-20040171520-A1 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. 2004-09-02 US disclosed
US-20040157264-A1 Piperazine melanocortin-specific compounds PALATIN TECHNOLOGIES, INC. (US) 2004-08-12 US disclosed
EP-1425029-A1 PEPTIDOMIMETICS OF BIOLOGICALLY ACTIVE METALLOPEPTIDES Palatin Technologies, Inc. (US) 2004-06-09 EP disclosed
WO-2003013571-A1 PEPTIDOMIMETICS OF BIOLOGICALLY ACTIVE METALLOPEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2003-02-20 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 (5 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-20040157264-A1 Piperazine melanocortin-specific compounds MC1R, MC5R, MC3R CYP3A4 4536/4885CYP2D6 3878/4885CYP2C9 4580/4885
US-20040171520-A1 Peptidomimetics of biologically active metallopeptides MC1R, MC4R, MC5R CYP3A4 3806/4885CYP2D6 2484/4885CYP2C9 4322/4885
US-20080234289-A1 Melanocortin Receptor-Specific Compounds MC1R, MC3R, MC5R CYP3A4 2965/4885CYP2D6 2193/4885CYP2C9 2450/4885
US-20040224957-A1 Melanocortin receptor-specific compounds MC1R, MC5R, MC3R CYP3A4 2117/4885CYP2D6 1727/4885CYP2C9 2411/4885
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 CYP3A4 2689/4885CYP2D6 1768/4885CYP2C9 2245/4885

“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.