SCHEMBL775738

SCHEMBL775738

O=Cc1ccc(-c2ccc(CCCS)s2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
APP P05067 1/20 0.38
PRF1 P14222 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL775421 0.90 DPP4 (0.46) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL774352 0.82 DPP4 (0.49) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL10020289 0.81 DPP4 (0.51) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL12803804 0.81 ALDH1A1 (0.41) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL8013135 0.81 ALDH1A1 (0.41) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL1756469 0.81 ALDH1A1 (0.41) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL12664443 0.78 ALDH1A1 (0.41) DPP4MAPTALDH1A1POLBMEN1
SCHEMBL278904 0.75 DPP4 (0.65) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL405828 0.75 MAPT (0.50) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL10144207 0.75 DPP4 (0.49) DPP4CYP2E1CYP3A4CYP2A6CYP2C9

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 4 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 claimed
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 claimed
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 4118/4885CYP2E1 3210/4885CYP3A4 3513/4885

“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.