SCHEMBL5846333

SCHEMBL5846333

N[C@H](Cc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.60
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
SLC15A1 P46059 1/20 0.53
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
CTSC P53634 1/20 0.52
LTA4H P09960 1/20 0.50
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48

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
SCHEMBL23641829 0.85 MMP2 (0.61) MMP2ALPIPKMPTGS1XIAP
SCHEMBL1041526 0.84 MMP2 (0.60) MMP2ALPIPKMPTGS1XIAP
SCHEMBL6013478 0.84 MMP2 (0.60) MMP2ALPIPKMPTGS1XIAP
SCHEMBL24346075 0.84 MMP2 (0.60) MMP2ALPIPKMPTGS1XIAP
SCHEMBL9853256 0.84 MMP2 (0.60) MMP2ALPIPKMPTGS1XIAP
SCHEMBL6013477 0.84 MMP2 (0.60) MMP2ALPIPKMPTGS1XIAP
SCHEMBL21010316 0.83 SLC15A1 (0.64) MMP2ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL9556981 0.83 MMP2 (0.58) MMP2ALPIPKMPTGS1XIAP
SCHEMBL2310428 0.82 CYP3A4 (0.67) MMP2ALPIPKMPTGS1XIAP
SCHEMBL2310422 0.82 CYP3A4 (0.67) MMP2ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579325-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2017-02-28 US disclosed
EP-1294699-B1 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORP (US) 2016-04-13 EP disclosed
US-20150126512-A1 Modulators Of TNF-Alpha Signaling GENZYME CORPORATION (US) 2015-05-07 US disclosed
US-8921547-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2014-12-30 US disclosed
US-20130310388-A1 Modulators of TNF-Alpha Signaling GENZYME CORPORATION (US) 2013-11-21 US disclosed
US-8518999-B2 Modulators of TNF-αsignaling GENZYME CORPORATION (US) 2013-08-27 US disclosed
US-20060173010-A1 Modulators of TNF-alpha signaling GENZYME 2006-08-03 US disclosed
US-7034031-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2006-04-25 US disclosed
US-6969728-B2 Antiinflammatory agents GENZYME CORPORATION (US) 2005-11-29 US disclosed
US-20040171617-A1 treatment for disorders and diseases, such as chronic inflammation, tissue breakdown and cancer GENZYME CORPORATION 2004-09-02 US disclosed
US-20020119988-A1 Antiinflammatory agents GENZYME CORPORATION 2002-08-29 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 (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-20020119988-A1 Antiinflammatory agents TNF, TNFRSF1A, CD40 MMP2 305/4885ALPI 2202/4885PKM 3964/4885
US-20040171617-A1 treatment for disorders and diseases, such as chronic inflammation, tissue breakdown and cancer TNF, TNFRSF1A, CD40 MMP2 134/4885ALPI 748/4885PKM 2052/4885
US-20150126512-A1 Modulators Of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 MMP2 1294/4885ALPI 3258/4885PKM 3039/4885
US-20060173010-A1 Modulators of TNF-alpha signaling TNF, TNFRSF1A, TNFRSF9 MMP2 1294/4885ALPI 3258/4885PKM 3039/4885
US-20130310388-A1 Modulators of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 MMP2 1294/4885ALPI 3258/4885PKM 3039/4885

“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.