SCHEMBL1170751

SCHEMBL1170751

Cn1cc(C(=O)Nc2cc(Cl)c(CC(=O)CON3CCC[C@H]3CO[C@H]3CC[C@H](C(=O)O)CC3)cc2Cl)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.70
ITGA4 P13612 18/20 0.70
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 1/20 0.38

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
Water SCHEMBL2128631 0.99 ITGB1 (0.69) ITGB1ITGA4MEN1KMT2AKDM1A
SCHEMBL2432856 0.94 ITGB1 (0.80) ITGB1ITGA4
SCHEMBL2432751 0.94 ITGB1 (0.80) ITGB1ITGA4
Water SCHEMBL1170415 0.93 ITGB1 (0.61) ITGB1ITGA4MEN1KMT2AKDM1A
Bicarbonate SCHEMBL2438579 0.93 ITGB1 (0.60) ITGB1ITGA4MEN1KMT2AKDM1A
SCHEMBL2430237 0.88 ITGB1 (0.71) ITGB1ITGA4MEN1KMT2AKDM1A
SCHEMBL2432788 0.88 ITGB1 (0.71) ITGB1ITGA4MEN1KMT2AKDM1A
SCHEMBL2431888 0.83 ITGB1 (0.82) ITGB1ITGA4
SCHEMBL2432914 0.83 ITGB1 (0.79) ITGB1ITGA4
SCHEMBL2433299 0.82 ITGB1 (1.00) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP claimed
US-11147796-B2 Agent for preventing or ameliorating hearing impairment TOHOKU UNIVERSITY (JP) 2021-10-19 US disclosed
US-10463647-B2 Erythropoietin expression promoter TOHOKU UNIVERSITY (JP) 2019-11-05 US disclosed
US-20190224165-A1 Agent for Preventing or Ameliorating Hearing Impairment TOHOKU UNIVERSITY (JP) 2019-07-25 US disclosed
US-20180353475-A1 Erythropoietin Expression Promoter KAKE EDUCATIONAL INSTITUTION (JP) 2018-12-13 US disclosed
US-10004718-B2 Erythropoietin expression promoter TOHOKU UNIVERSITY (JP) 2018-06-26 US disclosed
WO-2017072816-A1 THERAPEUTIC AGENT FOR FIBROTIC DISEASES OF THE ORGANS 国立大学法人東北大学 2017-05-04 WO disclosed
US-20150353489-A1 Erythropoietin Expression Promoter KANAGAWA PREFECTURAL HOSPITAL ORGANIZATION KANAGAWA CHILDREN'S MEDICAL CENTER (JP) 2015-12-10 US disclosed
WO-2014080640-A1 ERYTHROPOIETIN EXPRESSION PROMOTER 国立大学法人東北大学 (JP) 2014-05-30 WO disclosed
US-20120258093-A1 VLA-4 AS A BIOMARKER FOR PROGNOSIS AND TARGET FOR THERAPY IN DUCHENNE MUSCULAR DYSTROPHY INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-10-11 US disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7893279-B2 Cyclohexanecarboxylic acid compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-02-22 US disclosed
US-7691894-B2 Cyclohexanecarboxylic acid compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20100022783-A1 CYCLOHEXANECARBOXYLIC ACID COMPOUND DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-01-28 US disclosed
US-20070105936-A1 Cyclohexanecarboxylic acid compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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 (9 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-20180353475-A1 Erythropoietin Expression Promoter EPOR, NFE2L2, FOXO1 ITGB1 3148/4885ITGA4 3410/4885MEN1 3086/4885
US-20070105936-A1 Cyclohexanecarboxylic acid compound VCAM1, CLIC4, PLAAT4 ITGB1 483/4885ITGA4 17/4885MEN1 2678/4885
US-11147796-B2 Agent for preventing or ameliorating hearing impairment SLC26A4, OTC, SLC25A20 ITGB1 4494/4885ITGA4 4489/4885MEN1 1339/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ITGB1 5/4885ITGA4 4/4885MEN1 1582/4885
US-20150353489-A1 Erythropoietin Expression Promoter EPOR, NFE2L2, FOXO1 ITGB1 3148/4885ITGA4 3410/4885MEN1 3086/4885
US-20100022783-A1 CYCLOHEXANECARBOXYLIC ACID COMPOUND VCAM1, CLIC4, PLAAT4 ITGB1 483/4885ITGA4 17/4885MEN1 2678/4885
US-20190224165-A1 Agent for Preventing or Ameliorating Hearing Impairment SLC26A4, OTC, SLC25A20 ITGB1 4494/4885ITGA4 4489/4885MEN1 1339/4885
US-10004718-B2 Erythropoietin expression promoter EPOR, NFE2L2, FOXO1 ITGB1 3148/4885ITGA4 3410/4885MEN1 3086/4885
US-10463647-B2 Erythropoietin expression promoter EPOR, NFE2L2, FOXO1 ITGB1 3148/4885ITGA4 3410/4885MEN1 3086/4885

“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.