SCHEMBL799550

SCHEMBL799550

SCc1ccc(-c2cccs2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.67
DPP4 P27487 4/20 0.65
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL799494 0.98 DPP4 (0.68) LTA4HDPP4ALDH1A1KDM4EL3MBTL1
SCHEMBL799958 0.85 LTA4H (0.62) LTA4HDPP4ALDH1A1KDM4EL3MBTL1
SCHEMBL21823759 0.83 LTA4H (0.71) LTA4HDPP4ALDH1A1KDM4EL3MBTL1
SCHEMBL799557 0.83 DPP4 (0.64) LTA4HDPP4ALDH1A1KDM4EL3MBTL1
SCHEMBL799475 0.82 LTA4H (0.59) LTA4HDPP4ALDH1A1KDM4EL3MBTL1
SCHEMBL799496 0.80 DPP4 (0.60) LTA4HDPP4ALDH1A1KDM4EL3MBTL1
SCHEMBL8575790 0.80 LTA4H (0.67) LTA4HDPP4ALDH1A1KDM4EL3MBTL1
SCHEMBL406832 0.80 DPP4 (0.96) LTA4HDPP4ALDH1A1KDM4EL3MBTL1
SCHEMBL2690127 0.80 LTA4H (1.00) LTA4HDPP4ALDH1A1KDM4EL3MBTL1
SCHEMBL499162 0.79 DPP4 (0.74) LTA4HDPP4ALDH1A1KDM4EL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
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 (2 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 LTA4H 1373/4885DPP4 4668/4885ALDH1A1 4362/4885
US-20120067742-A1 LINKER, IMPEDANCE BIOCHIP, AND METHOD OF QUANTITATIVELY DETECTING TARGET ANALYTE IN FLUID SAMPLE USING THE BIOCHIP EPCAM, CA13, CD44 LTA4H 3545/4885DPP4 4118/4885ALDH1A1 1831/4885

“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.