SCHEMBL16607619

SCHEMBL16607619

C#CCOc1ccc(CC(N)C(=O)OCCCCCCOC(=O)C(N)Cc2ccc(OCC#C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.53
▸ ITGA2B P08514 7/20 0.53
▸ MAOB P27338 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ PTPN1 P18031 1/20 0.39
▸ GSTP1 P09211 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ ACACB O00763 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
SCHEMBL2742844 0.89 CA12 (0.45) ITGB3ITGA2BMAOBCA12CA1
SCHEMBL231156 0.89 CA12 (0.45) ITGB3ITGA2BMAOBCA12CA1
SCHEMBL18025354 0.88 CA12 (0.44) ITGB3ITGA2BMAOBCA12CA1
SCHEMBL16441206 0.85 CA12 (0.44) ITGB3ITGA2BMAOBCA12CA1
SCHEMBL17166629 0.85 CA12 (0.44) ITGB3ITGA2BMAOBCA12CA1
SCHEMBL20215813 0.84 LTA4H (0.47) ITGB3ITGA2BCA12CA1CA2
SCHEMBL10001634 0.84 LTA4H (0.47) ITGB3ITGA2BCA12CA1CA2
SCHEMBL10001633 0.83 CA12 (0.47) ITGB3ITGA2BMAOBCA12CA1
Hydrochloric Acid SCHEMBL5755082 0.83 LTA4H (0.46) ITGB3ITGA2BCA12CA1CA2
SCHEMBL25794373 0.82 ITGB3 (0.72) ITGB3ITGA2BCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052471-B1 METHODS FOR POST-FABRICATION FUNCTIONALIZATION OF POLY(ESTER UREAS) UNIV AKRON (US) 2023-06-21 — — EP disclosed
US-9988492-B2 Methods for post-fabrication functionalization of poly(ester ureas) THE UNIVERSITY OF AKRON (US) 2018-06-05 — — US disclosed
US-20160237212-A1 METHODS FOR POST-FABRICATION FUNCTIONALIZATION OF POLY(ESTER UREAS) THE UNIVERSITY OF AKRON (US) 2016-08-18 — — US disclosed
US-20160237212-A1 METHODS FOR POST-FABRICATION FUNCTIONALIZATION OF POLY(ESTER UREAS) THE UNIVERSITY OF AKRON (US) 2016-08-18 — — US disclosed
WO-2015048728-A1 METHODS FOR POST-FABRICATION FUNCTIONALIZATION OF POLY(ESTER UREAS) THE UNIVERSITY OF AKRON (US) 2015-04-02 — — WO 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 (1 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-20160237212-A1 METHODS FOR POST-FABRICATION FUNCTIONALIZATION OF POLY(ESTER UREAS) PTMS, MUSK, DSTYK ITGB3 1928/4885ITGA2B 3864/4885MAOB 1711/4885

“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.

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