SCHEMBL16639745

SCHEMBL16639745

C=C(Cn1c(=C)s/c(=C\c2ccc(-c3ccccc3)o2)c1=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.49
ITGAM P11215 3/20 0.49
MAPT P10636 9/20 0.41
TP53 P04637 1/20 0.41
PSMB8 P28062 1/20 0.41
DUSP3 P51452 2/20 0.40
PTPN7 P35236 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
PTGES O14684 1/20 0.40
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
ALDH1A1 P00352 7/20 0.39
POLB P06746 5/20 0.39
RECQL P46063 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
USP2 O75604 2/20 0.39
APAF1 O14727 1/20 0.39
APEX1 P27695 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL17789558 0.90 ITGB2 (0.59) ITGB2ITGAMMAPTTP53PSMB8
SCHEMBL16639742 0.82 ITGB2 (0.53) ITGB2ITGAMMAPTNR1H4PTGES
SCHEMBL23692386 0.77 EP300 (0.44) ITGB2ITGAMMAPTDUSP3PTPN7
SCHEMBL15315392 0.76 POLB (0.50) ITGB2ITGAMMAPTPSMB8DUSP3
SCHEMBL684060 0.75 ITGB2 (0.80) ITGB2ITGAMPSMB8MEN1KMT2A
SCHEMBL16639747 0.75 MEN1 (0.44) MAPTDUSP3PTPN7MEN1KMT2A
SCHEMBL16639743 0.73 DUSP3 (0.56) MAPTPSMB8DUSP3PTPN7PTGES
SCHEMBL16639751 0.72 ITGB2 (0.62) ITGB2ITGAMMAPTNR1H4MEN1
SCHEMBL16687570 0.71 KDM4E (0.58) MAPTPSMB8DUSP3PTPN7MEN1
SCHEMBL15374273 0.70 HIF1AN (0.56) MAPTDUSP3PTPN7MEN1KMT2A

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-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 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-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885MAPT 4654/4885

“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.