SCHEMBL799548

SCHEMBL799548

COc1ccc(-c2ccc(CCCS)s2)s1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
TRPV1 Q8NER1 1/20 0.31
HPGD P15428 1/20 0.31
RPS6KB2 Q9UBS0 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 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
SCHEMBL799794 0.98 DPP4 (0.36) DPP4PDGFRBPDGFRATRPV1HPGD
SCHEMBL799792 0.90 DPP4 (0.36) DPP4PDGFRBPDGFRARPS6KB2CYP1A2
SCHEMBL799556 0.88 DPP4 (0.38) DPP4PDGFRBPDGFRARPS6KB2CYP1A2
SCHEMBL799477 0.82 DPP4 (0.38) DPP4PDGFRBPDGFRACYP1A2CYP2E1
SCHEMBL799960 0.81 DPP4 (0.40) DPP4PDGFRBPDGFRACYP1A2CYP2E1
SCHEMBL25701027 0.78 RPS6KB2 (0.50) TRPV1HPGDRPS6KB2
SCHEMBL799957 0.75 HPGD (0.36) TRPV1HPGDRPS6KB2
SCHEMBL799558 0.74 HPGD (0.36) DPP4TRPV1HPGDRPS6KB2
SCHEMBL14867609 0.74 DPP4 (0.51) DPP4PDGFRBPDGFRAHPGDCYP1A2
SCHEMBL14871942 0.73 APP (0.46) DPP4PDGFRBPDGFRACYP1A2CYP2E1

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-8663451-B2 Linker, impedance biochip, and method of quantitatively detecting target analyte in fluid sample using the biochip NATIONAL TAIWAN UNIVERSITY (TW) 2014-03-04 US disclosed
US-20120067742-A1 LINKER, IMPEDANCE BIOCHIP, AND METHOD OF QUANTITATIVELY DETECTING TARGET ANALYTE IN FLUID SAMPLE USING THE BIOCHIP NATIONAL TAIWAN UNIVERSITY (TW) 2012-03-22 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-20120067742-A1 LINKER, IMPEDANCE BIOCHIP, AND METHOD OF QUANTITATIVELY DETECTING TARGET ANALYTE IN FLUID SAMPLE USING THE BIOCHIP EPCAM, CA13, CD44 DPP4 4118/4885PDGFRB 4624/4885PDGFRA 4684/4885

“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.