SCHEMBL799556

SCHEMBL799556

COc1ccc(-c2ccc(-c3ccc(CCS)s3)s2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.38
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
APP P05067 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2E1 P05181 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2A6 P11509 2/20 0.32
CYP2B6 P20813 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP4B1 P13584 1/20 0.32
CYP3A5 P20815 1/20 0.32
CYP2A7 P20853 1/20 0.32
CYP3A7 P24462 1/20 0.32
CYP2F1 P24903 1/20 0.32
CYP2C18 P33260 1/20 0.32

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
SCHEMBL799792 0.98 DPP4 (0.36) DPP4PDGFRBPDGFRACYP1A2CYP2E1
SCHEMBL799794 0.90 DPP4 (0.36) DPP4PDGFRBPDGFRAAPPCYP1A2
SCHEMBL799548 0.88 DPP4 (0.34) DPP4PDGFRBPDGFRACYP1A2CYP2E1
SCHEMBL799960 0.86 DPP4 (0.40) DPP4PDGFRBPDGFRAAPPCYP1A2
SCHEMBL799477 0.84 DPP4 (0.38) DPP4PDGFRBPDGFRAAPPCYP1A2
SCHEMBL14871942 0.79 APP (0.46) DPP4PDGFRBPDGFRAAPPCYP1A2
SCHEMBL14867609 0.79 DPP4 (0.51) DPP4PDGFRBPDGFRAAPPCYP1A2
SCHEMBL799817 0.74 RPS6KB2 (0.34) DPP4RPS6KB2
SCHEMBL25701027 0.73 RPS6KB2 (0.50) RPS6KB2
SCHEMBL799558 0.72 HPGD (0.36) DPP4RPS6KB2

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.