SCHEMBL683937

SCHEMBL683937

O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.58
ITGAM P11215 3/20 0.58
ENPP2 Q13822 1/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
RECQL P46063 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
BLM P54132 2/20 0.52
MAPT P10636 4/20 0.52
POLB P06746 4/20 0.52
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTPN22 Q9Y2R2 2/20 0.48
PIK3CG P48736 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL12291206 0.91 ENPP2 (0.54) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL12291214 0.91 ITGB2 (0.59) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL12292506 0.91 ENPP2 (0.54) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL12291201 0.91 MEN1 (0.65) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL12292497 0.90 ENPP2 (0.69) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL46219 0.89 ALDH1A1 (0.61) ENPP2MEN1KMT2ARECQLTDP1
SCHEMBL12292508 0.89 ENPP2 (0.57) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL12291195 0.88 MEN1 (0.52) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL12292502 0.88 EP300 (0.57) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL12292505 0.87 ENPP2 (0.58) ITGB2ITGAMENPP2MEN1KMT2A

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-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 US disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 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-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM ITGB2 5/4885ITGAM 3/4885ENPP2 1581/4885

“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.