SCHEMBL6028459

SCHEMBL6028459

CCOC(=O)C1=C(C(F)(F)F)NC2=C(C(=O)CC(C)(C)C2)C1C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.58
ERBB2 P04626 1/20 0.58
PDGFRB P09619 1/20 0.58
KDR P35968 1/20 0.58
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 10/20 0.47
ALDH1A1 P00352 7/20 0.47
GAA P10253 6/20 0.47
CASP1 P29466 4/20 0.47
HSD17B10 Q99714 3/20 0.47
RECQL P46063 1/20 0.47
CASP7 P55210 3/20 0.46
HPGD P15428 3/20 0.46
GLA P06280 1/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
USP2 O75604 2/20 0.41

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
SCHEMBL5816033 0.86 KDM4E (0.58) EGFRERBB2PDGFRBKDRNPSR1
SCHEMBL5821977 0.84 NPSR1 (0.53) EGFRERBB2PDGFRBKDRNPSR1
SCHEMBL6027988 0.83 TSHR (0.52) EGFRERBB2PDGFRBKDRNPSR1
SCHEMBL5815739 0.82 TSHR (0.61) NPSR1TSHRMEN1KMT2AKDM4E
SCHEMBL6027927 0.81 TSHR (0.50) EGFRERBB2PDGFRBKDRNPSR1
SCHEMBL6029208 0.81 NPSR1 (0.62) NPSR1TSHRMEN1KMT2AKDM4E
SCHEMBL9726347 0.79 ADORA2B (0.48) EGFRERBB2PDGFRBKDRNPSR1
SCHEMBL5823557 0.77 TSHR (0.48) EGFRERBB2PDGFRBKDRNPSR1
SCHEMBL6027944 0.77 NPSR1 (0.52) NPSR1TSHRMEN1KMT2AKDM4E
SCHEMBL6027547 0.76 NPSR1 (0.56) EGFRERBB2PDGFRBKDRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663227-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS Synta Pharmaceuticals Corporation (US) 2006-06-07 EP claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US claimed
WO-2005025507-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS SYNTA PHAMACEUTICALS CORP. (US) 2005-03-24 WO claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 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-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SLC5A2, SLC5A1, QDPR EGFR 4334/4885ERBB2 3788/4885PDGFRB 2708/4885

“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.