SCHEMBL4868675

SCHEMBL4868675

O=C(O)c1sc2c(C3CCCCC3)c(-c3ccc4nc(-c5c(F)cccc5F)ccc4c3)n(CC(=O)N3CCOCC3)c2c1CNCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.32
HRH1 P35367 1/20 0.32
MTOR P42345 1/20 0.32
MAPK14 Q16539 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HIF1A Q16665 1/20 0.30
AVPR1B P47901 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL4868692 0.90 PTGS2 (0.35) MTORMAPK14PTGS2AVPR1BBRD4
SCHEMBL2995091 0.81 MAPK1 (0.41) ALDH1A1BRD4
SCHEMBL4875229 0.81 KCNH2 (0.36) PTGS2BRD4CREBBP
SCHEMBL5227324 0.78 HRH1 (0.37) SMOHRH1MTORALDH1A1HIF1A
SCHEMBL4866906 0.77 KCNH2 (0.38) SMOPTGS2BRD4CREBBP
SCHEMBL4868332 0.77 ALDH1A1 (0.37) SMOHRH1ALDH1A1
SCHEMBL4875039 0.76 KCNH2 (0.38) HRH1MTORBRD4CREBBP
SCHEMBL3931763 0.76 GRIN2B (0.39) SMOHRH1MTORALDH1A1HIF1A
SCHEMBL4875667 0.75 SMO (0.33) SMOHRH1ALDH1A1
SCHEMBL4876035 0.75 GRIN2B (0.39) SMOHRH1MTORBRD4CREBBP

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 SMO 4550/4885HRH1 3900/4885MTOR 1386/4885

“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.