SCHEMBL3422934

SCHEMBL3422934

CCOC(=O)c1ccccc1Cn1c(Cl)nc2ccc(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 4/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 3/20 0.45
CASP1 P29466 3/20 0.45
CASP7 P55210 3/20 0.45
GAA P10253 2/20 0.45
USP2 O75604 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 1/20 0.45
P2RX3 P56373 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PLA2G2A P14555 1/20 0.43
PTGES O14684 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR1 P21554 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
SCHEMBL3423965 0.78 DPP4 (0.69)
SCHEMBL8242992 0.78 DPP4 (0.69)
SCHEMBL3426522 0.76 CHRM5 (0.46) ALDH1A1KDM4ECASRMAPK1TDP1
SCHEMBL3425489 0.75 CYP3A4 (0.61)
SCHEMBL26649449 0.73 TSHR (0.59) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL24951547 0.70 TSHR (0.61) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL4698947 0.69 KDM4E (0.56) ALDH1A1KDM4ETSHRGAAMAPT
SCHEMBL163631 0.68 TSHR (0.52) ALDH1A1KDM4EHPGDTSHRGAA
SCHEMBL639802 0.68 CYP1A2 (0.55) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL5124064 0.67 ALDH1A1 (0.63) ALDH1A1KDM4EGAAMAPTHTT

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
EP-1608317-B1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2012-09-26 EP disclosed
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
US-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
EP-1608317-A4 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2006-12-27 EP disclosed
EP-1608317-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda San Diego, Inc. (US) 2005-12-28 EP disclosed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US disclosed
US-20040259870-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-23 US disclosed
US-20040242566-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO disclosed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 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 (4 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-20050004117-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 ALDH1A1 816/4885KDM4E 2328/4885HPGD 2678/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 ALDH1A1 1094/4885KDM4E 2254/4885HPGD 3212/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 ALDH1A1 1061/4885KDM4E 2122/4885HPGD 3393/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 ALDH1A1 917/4885KDM4E 2027/4885HPGD 3217/4885

“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.