SCHEMBL4870548

SCHEMBL4870548

COc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)NCCN4CCOCC4)ccc3n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.43
HPGD P15428 4/20 0.38
PDE5A O76074 3/20 0.38
ABL1 P00519 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 2/20 0.36
MMP12 P39900 1/20 0.36
AVPR1B P47901 1/20 0.35
SMO Q99835 1/20 0.35
MAP4K4 O95819 1/20 0.35
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34

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
SCHEMBL14305260 0.95 HTT (0.36) CD274HPGDPDE5AABL1ALDH1A1
SCHEMBL4878870 0.90 PDE5A (0.42) CD274HPGDPDE5AKDM4EALDH1A1
SCHEMBL4867746 0.90 ALDH1A1 (0.40) HPGDPDE5AABL1KDM4EALDH1A1
SCHEMBL4877105 0.90 ALDH1A1 (0.40) HPGDPDE5AABL1KDM4EALDH1A1
SCHEMBL4877164 0.89 AVPR1B (0.44) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL4870567 0.89 CD274 (0.45) CD274HPGDPDE5AABL1KDM4E
SCHEMBL4874956 0.88 ALDH1A1 (0.40) HPGDPDE5AABL1KDM4EALDH1A1
SCHEMBL4876068 0.86 ALDH1A1 (0.38) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL4870574 0.85 MTOR (0.31) CD274ALDH1A1RPS6KB1AKT1
SCHEMBL4877243 0.85 KDM4E (0.38) HPGDABL1KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 CD274 4210/4885HPGD 2973/4885PDE5A 1673/4885

“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.