SCHEMBL14595752

SCHEMBL14595752

COC(=O)[C@@H](Nc1nc(CNS(=O)(=O)c2ccccc2)nc2ccccc12)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.42
ELANE P08246 4/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 5/20 0.40
ADAMTS4 O75173 3/20 0.40
MMP13 P45452 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACHE P22303 1/20 0.38
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.38
APAF1 O14727 1/20 0.37
NSD2 O96028 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL14595719 0.94 ALDH1A1 (0.46) TACR3ELANEALDH1A1KMT2AKDM4E
SCHEMBL14595742 0.94 ADAMTS4 (0.45) TACR3ADAMTS4MMP13LMNASMN1; SMN2
SCHEMBL14595745 0.93 MMP13 (0.40) TACR3ELANEALDH1A1KMT2AKDM4E
SCHEMBL14595723 0.93 CA12 (0.44) TACR3ELANEKMT2AKDM4EADAMTS4
SCHEMBL14595728 0.93 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EADAMTS4MMP13
SCHEMBL14595718 0.93 KMT2A (0.41) TACR3ELANEALDH1A1KMT2AKDM4E
SCHEMBL14595725 0.92 OPRK1 (0.42) TACR3ELANEALDH1A1KMT2AADAMTS4
SCHEMBL14595748 0.92 MMP9 (0.48) TACR3ELANEALDH1A1ADAMTS4MMP13
SCHEMBL14595722 0.92 CACNA1G (0.43) TACR3ELANEALDH1A1KDM4EADAMTS4
SCHEMBL14595726 0.92 MEP1B (0.43) ALDH1A1KMT2AADAMTS4LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 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-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 TACR3 3301/4885ELANE 1019/4885ALDH1A1 1994/4885

“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.