SCHEMBL13645698

SCHEMBL13645698

CC(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
TDP1 Q9NUW8 4/20 0.60
POLB P06746 3/20 0.60
TACR1 P25103 1/20 0.60
MMP1 P03956 1/20 0.58
MMP3 P08254 1/20 0.58
MMP9 P14780 1/20 0.58
ITGA4 P13612 1/20 0.58
ITGB7 P26010 1/20 0.58
CTSS P25774 3/20 0.55
CTSK P43235 2/20 0.55
PAM P19021 1/20 0.55
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
KLK5 Q9Y337 1/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ATM Q13315 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C8 P10632 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL15630652 1.00 MAPT (0.60) MAPTTDP1POLBTACR1MMP1
SCHEMBL16459753 0.88 CTSS (0.68) MAPTTDP1POLBMMP1MMP3
SCHEMBL16459752 0.88 CTSS (0.68) MAPTTDP1POLBMMP1MMP3
SCHEMBL18435382 0.88 CTSS (0.68) MAPTTDP1POLBMMP1MMP3
SCHEMBL3573987 0.86 MMP1 (0.57) MAPTTDP1POLBMMP1MMP3
SCHEMBL3573990 0.86 MMP1 (0.57) MAPTTDP1POLBMMP1MMP3
SCHEMBL5887700 0.86 CTSS (0.55) MAPTTDP1POLBTACR1MMP1
SCHEMBL2853588 0.86 MAPT (0.51) MAPTTDP1POLBTACR1MMP1
Hydrochloric Acid SCHEMBL20559242 0.86 POLB (0.58) MAPTTDP1POLBMMP1MMP3
Hydrochloric Acid SCHEMBL20559244 0.86 POLB (0.58) MAPTTDP1POLBMMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897940-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-01 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 MAPT 4307/4885TDP1 1223/4885POLB 4498/4885

“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.