SCHEMBL3076261

SCHEMBL3076261

CC(N)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.38
▸ PIN1 Q13526 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ CPB2 Q96IY4 3/20 0.33
▸ MME P08473 1/20 0.33
▸ CPB1 P15086 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL4161761 1.00 ACE (0.38) ACEPIN1MMP2MMP7MMP9
SCHEMBL15832825 1.00 ACE (0.38) ACEPIN1MMP2MMP7MMP9
SCHEMBL30572052 0.88 SLC1A3 (0.38) ACE
SCHEMBL21246719 0.88 ACE (0.39) ACEPIN1MMP2MMP7MMP9
SCHEMBL19051537 0.86 ACE (0.38) ACEPIN1MMP2MMP7MMP9
SCHEMBL11133973 0.85 TNF (0.37) ACEPIN1
SCHEMBL17293240 0.84 CTRB1 (0.37) ACEMME
SCHEMBL3916119 0.84 CTRB1 (0.37) ACEMME
SCHEMBL749822 0.84 CTRB1 (0.37) ACEMME
SCHEMBL3810013 0.84 CTRB1 (0.37) ACEMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9044425-B2 Method for topical treatment of eye disease and composition and device for said treatment BABIZHAYEV MARK A (RU) 2015-06-02 — — US disclosed
US-20100317586-A1 METHOD FOR TOPICAL TREATMENT OF EYE DISEASE AND COMPOSITION AND DEVICE FOR SAID TREATMENT BABIZHAYEV MARK A 2010-12-16 — — US disclosed
US-7795203-B2 topically applying an aqueous ophthalmic composition comprising N-acetylcarnosine, a N-acetylcarnosine derivative and a cellulose compound which increases intraocular absorption of N-acetylcarnosine; a hydrophilic hydrogel contact lens and an ocular polymer insert for topical application BABIZHAYEV MARK A 2010-09-14 — — US disclosed
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 — — US disclosed
EP-2144893-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2010-01-20 — — EP disclosed
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 — — WO disclosed
EP-1551399-A1 METHOD FOR TOPICAL TREATMENT OF EYE DISEASE AND COMPOSITION AND DEVICE FOR SAID TREATMENT BABIZHAYEV, Mark A. (RU) 2005-07-13 — — EP disclosed
US-20040192647-A1 topically applying an aqueous ophthalmic composition comprising N-acetylcarnosine, a N-acetylcarnosine derivative and a cellulose compound which increases intraocular absorption of N-acetylcarnosine; a hydrophilic hydrogel contact lens and an ocular polymer insert for topical application BABIZHAYEV MARK A (RU) 2004-09-30 — — US disclosed
WO-2004028536-A1 METHOD FOR TOPICAL TREATMENT OF EYE DISEASE AND COMPOSITION AND DEVICE FOR SAID TREATMENT BABIZHAYEV MARK A (RU) 2004-04-08 — — 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 (3 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-20100317586-A1 METHOD FOR TOPICAL TREATMENT OF EYE DISEASE AND COMPOSITION AND DEVICE FOR SAID TREATMENT NAT1, NISCH, UACA ACE 148/4885PIN1 2616/4885MMP2 518/4885
US-20040192647-A1 topically applying an aqueous ophthalmic composition comprising N-acetylcarnosine, a N-acetylcarnosine derivative and a cellulose compound which increases intraocular absorption of N-acetylcarnosine; a hydrophilic hydrogel contact lens and an ocular polymer insert for topical application NAT1, B3GNT2, UACA ACE 401/4885PIN1 2339/4885MMP2 712/4885
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP2, MMP12 ACE 382/4885PIN1 2818/4885MMP2 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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