SCHEMBL13630805

SCHEMBL13630805

CC(C)N(c1cc(-c2ccc(NC(=O)c3cnco3)cc2)sc1COO)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.34
NAMPT P43490 1/20 0.34
F2R P25116 1/20 0.32
ROCK2 O75116 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL2431675 0.86 KDM4E (0.36) DGAT1NAMPTF2RAAK1NPC1
SCHEMBL2431677 0.86 KDM4E (0.36) DGAT1NAMPTF2RAAK1NPC1
SCHEMBL2435223 0.86 NAMPT (0.37) DGAT1NAMPTF2RNPC1RAB9A
SCHEMBL2435224 0.86 NAMPT (0.37) DGAT1NAMPTF2RNPC1RAB9A
SCHEMBL13630673 0.85 DGAT1 (0.32) DGAT1F2RPRMT5WDR77TP53
SCHEMBL2432534 0.74 MEN1 (0.45) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL2432538 0.74 MEN1 (0.45) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL2435755 0.73 NPC1 (0.45) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL2435757 0.73 NPC1 (0.45) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL2432594 0.73 KMT2A (0.39) DGAT1NAMPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 DGAT1 4164/4885NAMPT 3959/4885F2R 1857/4885

“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.