SCHEMBL4935341

SCHEMBL4935341

NC(=O)c1cc(C(F)(F)F)ccc1NC(=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
PTPN1 P18031 4/20 0.45
PTPN6 P29350 2/20 0.45
PTPRC P08575 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPRA P18433 1/20 0.45
PTPRB P23467 1/20 0.45
PTPRE P23469 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LIPC P11150 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
KIF11 P52732 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CES2 O00748 1/20 0.42
PTPN11 Q06124 1/20 0.42
KDM1A O60341 1/20 0.42

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
SCHEMBL5742052 0.83 MEN1 (0.46) KDM4EALDH1A1HPGDHSD17B10LIPC
SCHEMBL4365650 0.80 PTPN1 (0.49) GPR35PTPN1PTPN6PTPRCPTPN2
SCHEMBL31264931 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LIPC
SCHEMBL14676630 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LIPC
SCHEMBL4933472 0.78 IGF2BP2 (0.51) GPR35PTPN1PTPN6PTPRCPTPN2
SCHEMBL3886155 0.78 KIF11 (0.56) KDM4EALDH1A1HPGDHSD17B10LIPC
SCHEMBL4371765 0.78 PTPN1 (0.50) GPR35PTPN1PTPN6PTPRCPTPN2
SCHEMBL5741416 0.77 CCR2 (0.49) KDM4EKIF11MEN1KMT2A
SCHEMBL4361861 0.76 PTPN1 (0.76) GPR35PTPN1PTPN6PTPRCPTPN2
SCHEMBL4361320 0.76 PTPN1 (0.49) GPR35PTPN1PTPN6PTPRCPTPN2

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-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 US disclosed
EP-1740551-B9 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2013-01-16 EP disclosed
EP-1740551-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-09-12 EP disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 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 (2 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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 GPR35 2052/4885PTPN1 4198/4885PTPN6 4427/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 GPR35 1945/4885PTPN1 4009/4885PTPN6 4234/4885

“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.