SCHEMBL2840125

SCHEMBL2840125

NC(=O)c1cccc(-c2ccc(C(O)C(N)c3ccc(Cl)c(Cl)c3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
PTPN5 P54829 4/20 0.45
CHEK2 O96017 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.43
DPP8 Q6V1X1 1/20 0.41
ERN1 O75460 1/20 0.41
PARP1 P09874 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
OPRK1 P41145 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP2 O95551 1/20 0.39
CSF1R P07333 1/20 0.39
FLT1 P17948 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL7813919 1.00 DPP4 (0.46) DPP4PTPN5CHEK2PTGES2DPP8
Hydrochloric Acid SCHEMBL2836676 0.81 DPP4 (0.45) DPP4PTPN5CHEK2PTGES2DPP8
SCHEMBL2841303 0.78 RXRA (0.49) PTPN5CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL2836748 0.78 CYP3A4 (0.51) PTPN5CYP3A4CYP2D6TDP2
SCHEMBL7813356 0.78 CYP3A4 (0.51) PTPN5CYP3A4CYP2D6TDP2
SCHEMBL7812261 0.78 CYP3A4 (0.52) DPP4PTPN5PTGES2DPP8CYP3A4
SCHEMBL7813925 0.78 RXRA (0.49) PTPN5CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL2834065 0.78 SLC6A2 (0.50) PTPN5CYP3A4CYP2D6
SCHEMBL7813194 0.78 SLC6A2 (0.50) PTPN5CYP3A4CYP2D6
SCHEMBL3798431 0.76 CYP1A2 (0.55) PTPN5UTS2RCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP claimed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO claimed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US claimed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (1 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-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 DPP4 1936/4885PTPN5 3713/4885CHEK2 3041/4885

“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.