SCHEMBL3357754

SCHEMBL3357754

CCCCCc1sccc1-c1nnn[nH]1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.32
GPR35 Q9HC97 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL13806632 0.83
SCHEMBL9702603 0.81
SCHEMBL6961906 0.72 LIPG (0.44)
SCHEMBL9173846 0.72 PTPN1 (0.38) ALDH1A1
SCHEMBL4783020 0.72 PLA2G10 (0.42)
SCHEMBL24416957 0.69 GABRA1 (0.38) KDM4EALDH1A1LMNA
SCHEMBL24416955 0.69 MAPT (0.40) KDM4EALDH1A1LMNA
SCHEMBL24416959 0.69 ALOX15 (0.37)
SCHEMBL24416944 0.69 ALOX5 (0.37)
SCHEMBL9808859 0.69 BCAT2 (0.41) GPR35ALDH1A1

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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US disclosed
WO-2008128321-A1 THERAPEUTIC PRO-ANTIBIOTIC AGENTS AND METHODS OF USE THEREOF DENOVAMED INC. (CA) 2008-10-30 WO 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 S1PR1 2796/4885GPR35 432/4885KDM4E 3392/4885

“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.