SCHEMBL1755656

SCHEMBL1755656

C1=C2OCCOC2=CCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33

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
SCHEMBL6333758 0.80
SCHEMBL18032669 0.79
SCHEMBL18433148 0.72
SCHEMBL9486647 0.70 ALDH1A1 (0.30)
SCHEMBL18285261 0.69
SCHEMBL8660608 0.64
SCHEMBL14853510 0.64
SCHEMBL28890214 0.58
SCHEMBL27382541 0.54 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL3289443 0.54 ITGB2 (0.44) ITGB2ICAM1ITGAL

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3091012-B1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CENTREXION THERAPEUTICS CORP (US) 2018-04-11 EP disclosed
EP-2922841-B1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
EP-2917206-B1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
WO-2016179460-A1 TRICYCLIC SULFONES AS RORϒ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-10 WO disclosed
EP-2175885-B1 COMBINATIONS OF MEK INHIBITORS AND RAF KINASE INHIBITORS AND USES THEREOF ARDEA BIOSCIENCES INC (US) 2016-10-12 EP disclosed
WO-2015103509-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed
WO-2015103508-A1 CARBOCYCLIC SULFONE RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed
WO-2015103510-A1 HETEROCYCLIC SULFONE AS ROR-GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed
WO-2015103507-A1 CYCLOHEXYL SULFONE RORϒ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed
WO-2015089143-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-18 WO disclosed
EP-2067775-B1 A N-Acylsphingosine glucosyltransferase inhibitor GENZYME CORP (US) 2012-04-25 EP disclosed
EP-1409467-B1 A N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITOR GENZYME CORP (US) 2012-04-18 EP disclosed
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
WO-2011007722-A1 3-SUBSTITUTED-2-FURANCARBOXYLIC ACID HYDRAZIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2011-01-20 WO disclosed
EP-2266968-A2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2010-12-29 EP disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 WO disclosed
US-20100167178-A1 Oxime sulfonates and the use thereof as latent acids YAMATO HITOSHI 2010-07-01 US disclosed
US-20100167178-A1 Oxime sulfonates and the use thereof as latent acids YAMATO HITOSHI 2010-07-01 US disclosed
EP-2067775-A1 Synthesis of UDP-glucose: N-Acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2009-06-10 EP disclosed
US-7199145-B2 Derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D' 'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 2007-04-03 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-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ITGB2 4762/4885ICAM1 3572/4885ITGAL 4771/4885
US-20100167178-A1 Oxime sulfonates and the use thereof as latent acids HAO2, SULT2A1, ARSA ITGB2 598/4885ICAM1 1124/4885ITGAL 1218/4885

“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.