SCHEMBL684060

SCHEMBL684060

C=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O)OCC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.80
ITGAM P11215 6/20 0.80
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
POLB P06746 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
GPR55 Q9Y2T6 1/20 0.57
SLC1A3 P43003 5/20 0.57
PSMB8 P28062 1/20 0.55
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTPN22 Q9Y2R2 1/20 0.52

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
SCHEMBL46558 0.89 ITGB2 (1.00) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL17088410 0.83 ITGB2 (0.71) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL684267 0.81 ITGB2 (0.82) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL684265 0.79 ITGB2 (1.00) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL3134585 0.79 MEN1 (0.63) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL3134591 0.79 MEN1 (0.63) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL3134579 0.79 MEN1 (0.63) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL17862122 0.77 ITGB2 (0.72) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL5167082 0.76 ITGB2 (0.77) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL5167090 0.76 ITGB2 (0.77) ITGB2ITGAMMEN1KMT2APOLB

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-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
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 (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-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM ITGB2 5/4885ITGAM 3/4885MEN1 1586/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885MEN1 2635/4885

“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.