SCHEMBL1205397

SCHEMBL1205397

c1cc2c(s1)OCCO2.c1cc2c(s1)OCCO2.c1cc2sccc2s1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
HTT P42858 1/20 0.32
RPS6KB2 Q9UBS0 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 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
SCHEMBL17961250 0.91 ITGB2 (0.42) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL39954 0.91
SCHEMBL29791540 0.89 ITGB2 (0.40) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL28942643 0.89 ITGB2 (0.40) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL29550212 0.89 ITGB2 (0.40) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL31520211 0.89 ITGB2 (0.40) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL16053482 0.89 ITGB2 (0.40) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL38659953 0.87 ITGB2 (0.39) ITGB2ICAM1ITGALSMN1; SMN2LMNA
Formaldehyde SCHEMBL27954158 0.85 ITGB2 (0.37) ITGB2ICAM1ITGALSMN1; SMN2LMNA
Boric Acid SCHEMBL31596967 0.83 ITGB2 (0.36) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253030-B1 ORGANIC SENSITIZERS ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2017-09-13 EP disclosed
US-8487119-B2 Organic sensitizers ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2013-07-16 US disclosed
US-20110041907-A1 ORGANIC SENSITIZERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2011-02-24 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-20110041907-A1 ORGANIC SENSITIZERS SLCO4C1, SLC16A3, EPCAM ITGB2 1876/4885ICAM1 118/4885ITGAL 1900/4885

“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.