SCHEMBL3510092

SCHEMBL3510092

O=C(O)NCC(O)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50
MMP14 P50281 1/20 0.50
DPP4 P27487 1/20 0.50
CNR2 P34972 1/20 0.47
TSHR P16473 1/20 0.47
MMP8 P22894 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 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
SCHEMBL893362 0.90 TRPA1 (0.51) MMP8SMN1; SMN2KMT2AHPGDSLC6A3
SCHEMBL893147 0.84 TSHR (0.50) MMP2MMP9MMP12MMP13MMP14
Hydrochloric Acid SCHEMBL10865002 0.82 HDAC3 (0.52) DPP4TSHRMMP8SMN1; SMN2ALDH1A1
SCHEMBL2636331 0.81 TRPA1 (0.50) MMP2TSHRCYP2D6
SCHEMBL8779454 0.81 LMNA (0.54) MMP12DPP4SMN1; SMN2ALDH1A1KMT2A
SCHEMBL8779460 0.81 LMNA (0.54) MMP12DPP4SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4343818 0.81 MMP2 (0.51) MMP2DPP4CNR2TSHRMMP8
SCHEMBL4343821 0.81 MMP2 (0.51) MMP2DPP4CNR2TSHRMMP8
SCHEMBL2637087 0.81 MMP2 (0.51) MMP2DPP4CNR2TSHRMMP8
SCHEMBL27210140 0.79 SLC6A2 (0.47) MMP2MMP9MMP12MMP13MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287561-A1 Inhibitors of AKT Activity NOVARTIS AG (CH) 2016-10-06 US disclosed
US-8946278-B2 Inhibitors of AkT activity GLAXOSMITHKLINE LLC (US) 2015-02-03 US disclosed
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY GLAXOSMITHKLINE LLC (US) 2013-09-05 US disclosed
US-8410158-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8273782-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-09-25 US disclosed
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2010-10-21 US disclosed
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 US disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
EP-1299365-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
WO-2001094325-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 WO disclosed
EP-1086076-A1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2001-03-28 EP disclosed
WO-1999065870-A2 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-23 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 (6 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-20100267759-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 MMP2 995/4885MMP9 748/4885MMP12 1442/4885
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY AKT2, AKT1, AKT3 MMP2 995/4885MMP9 748/4885MMP12 1442/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 MMP2 995/4885MMP9 748/4885MMP12 1442/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 MMP2 995/4885MMP9 748/4885MMP12 1442/4885
US-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 MMP2 810/4885MMP9 723/4885MMP12 1198/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 MMP2 995/4885MMP9 748/4885MMP12 1442/4885

“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.