SCHEMBL9105969

SCHEMBL9105969

CNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)CCN)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.67
EPHX2 P34913 10/20 0.52
PTGS2 P35354 10/20 0.52
AKR1C3 P42330 1/20 0.52
ALOX5 P09917 2/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
PTGS1 P23219 2/20 0.46
PDPK1 O15530 1/20 0.45
MAPT P10636 2/20 0.43
CHRNA7 P36544 1/20 0.42
CYP2C9 P11712 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL19839523 0.94 ILK (0.68) ILKEPHX2PTGS2AKR1C3ALOX5
SCHEMBL9100491 0.91 ILK (0.56) ILKEPHX2PTGS2AKR1C3ALOX5
SCHEMBL9102404 0.91 ILK (0.55) ILKEPHX2PTGS2AKR1C3ALOX5
SCHEMBL17077257 0.89 ILK (0.66) ILKEPHX2PTGS2AKR1C3ALOX5
SCHEMBL17077256 0.87 ILK (0.64) ILKEPHX2PTGS2AKR1C3ALOX5
SCHEMBL17077261 0.87 ILK (0.64) ILKEPHX2PTGS2AKR1C3ALOX5
SCHEMBL15560693 0.87 ILK (0.74) ILKEPHX2PTGS2AKR1C3ALOX5
SCHEMBL23645917 0.87 ILK (0.66) ILKEPHX2PTGS2AKR1C3ALOX5
SCHEMBL17077259 0.87 ILK (0.66) ILKEPHX2PTGS2AKR1C3ALOX5
SCHEMBL17077279 0.87 ILK (0.66) ILKEPHX2PTGS2AKR1C3ALOX5

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
EP-2642856-B1 INTEGRIN-LINKED KINASE INHIBITORS UNIV OHIO STATE RES FOUND (US) 2017-07-19 EP disclosed
US-8658647-B2 Integrin-linked kinase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-02-25 US disclosed
US-20120142702-A1 INTEGRIN-LINKED KINASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-07 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 (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-20120142702-A1 INTEGRIN-LINKED KINASE INHIBITORS PTK2, ITGB1, ITGB2 ILK 8/4885EPHX2 3969/4885PTGS2 2751/4885

“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.