SCHEMBL547079

SCHEMBL547079

[c]1cccc2c(-c3ccc4ccsc4c3)csc12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.32
SIGMAR1 Q99720 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL21295628 0.74 CYP17A1 (0.36)
SCHEMBL28567776 0.71 RAB9A (0.38)
SCHEMBL28869306 0.70 SIGMAR1 (0.33) SIGMAR1
SCHEMBL28351970 0.70 MCL1 (0.44) HDAC2
SCHEMBL16719885 0.70 SIGMAR1 (0.32) SIGMAR1
SCHEMBL13742552 0.69 DYRK1A (0.48) SIGMAR1
SCHEMBL18574624 0.69 SIGMAR1 (0.36) ERN1SIGMAR1
SCHEMBL13129272 0.67 DYRK1A (0.39) SIGMAR1
SCHEMBL28274289 0.67 DYRK1A (0.36) SIGMAR1
SCHEMBL28570251 0.67 CYP19A1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879881-B2 1-[[3-[(1,4,5,6-Tetrahydro-2-pyrimidinyl)amino]phenyl]acetyl]-4-piperidinepropanoic acid; new class of selective modulator of beta 3, beta 5 or dual integrin receptors; anticarcinogenic, antiinflammatory, antidiabetic agent JANSSEN PHARMACEUTICA NV (BE) 2011-02-01 US claimed
EP-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP claimed
JP-4554364-B2 2010-09-29 JP claimed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 US claimed
EP-1539739-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-15 EP claimed
US-20040077684-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, NV (BE) 2004-04-22 US claimed
WO-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 WO claimed
US-8110683-B2 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-07 US disclosed
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS DE CORTE BART 2011-04-21 US disclosed
US-7879881-B2 1-[[3-[(1,4,5,6-Tetrahydro-2-pyrimidinyl)amino]phenyl]acetyl]-4-piperidinepropanoic acid; new class of selective modulator of beta 3, beta 5 or dual integrin receptors; anticarcinogenic, antiinflammatory, antidiabetic agent JANSSEN PHARMACEUTICA NV (BE) 2011-02-01 US disclosed
EP-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP disclosed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 US disclosed
EP-1718635-A1 PIPERIDINYL TARGETING COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-08 EP disclosed
WO-2005082889-A1 PIPERIDINYL TARGETING COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-09 WO disclosed
US-20040224986-A1 Piperidinyl targeting compounds that selectively bind integrins JANSSEN PHARMACEUTICA, NV (BE) 2004-11-11 US disclosed
US-20040077684-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, NV (BE) 2004-04-22 US disclosed
US-4831027-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1989-05-16 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 (4 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-20080058359-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B ERN1 4505/4885SIGMAR1 1994/4885HDAC2 599/4885
US-20040077684-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B ERN1 4505/4885SIGMAR1 1994/4885HDAC2 599/4885
US-20040224986-A1 Piperidinyl targeting compounds that selectively bind integrins ITGA5, ITGB5, ITGB1 ERN1 4606/4885SIGMAR1 856/4885HDAC2 1242/4885
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B ERN1 4505/4885SIGMAR1 1994/4885HDAC2 599/4885

“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.