SCHEMBL16639751

SCHEMBL16639751

C=c1s/c(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c(=O)n1CC(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.62
ITGAM P11215 6/20 0.62
SLC1A3 P43003 5/20 0.46
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
MCL1 Q07820 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42

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
SCHEMBL16639742 0.91 ITGB2 (0.53) ITGB2ITGAMSLC1A3MEN1POLB
SCHEMBL17789558 0.82 ITGB2 (0.59) ITGB2ITGAMSLC1A3MEN1POLB
SCHEMBL46561 0.77 ITGB2 (1.00) ITGB2ITGAMSLC1A3MEN1POLB
SCHEMBL8290392 0.77 ITGB2 (0.39) ITGB2ITGAMMEN1POLBKMT2A
SCHEMBL12340057 0.75 ITGB2 (0.84) ITGB2ITGAMSLC1A3MEN1POLB
SCHEMBL16639745 0.72 ITGB2 (0.49) ITGB2ITGAMMEN1POLBKMT2A
SCHEMBL684267 0.71 ITGB2 (0.82) ITGB2ITGAMSLC1A3MEN1POLB
SCHEMBL23692610 0.70 INSR (0.44) ITGB2ITGAMMEN1POLBKMT2A
SCHEMBL12340045 0.68 ITGB2 (0.72) ITGB2ITGAMSLC1A3MEN1POLB
SCHEMBL23692454 0.68 INSR (0.42) ITGB2ITGAMMEN1POLBKMT2A

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
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 US disclosed
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 (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-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885SLC1A3 4237/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885SLC1A3 4237/4885

“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.