SCHEMBL9963576

SCHEMBL9963576

CN1CCC(NC(=O)CNc2nc3c(C(C)(C)C)c4nc(NCC(=O)N5CCCC5)sc4cc3s2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
FABP4 P15090 1/20 0.35
SSTR4 P31391 4/20 0.33
LIPG Q9Y5X9 3/20 0.33
LIPC P11150 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.33
ACKR3 P25106 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL9963519 0.88 PTGS2 (0.49) PTGS2FABP4ALDH1A1ACKR3
SCHEMBL9963597 0.84 PTGS2 (0.38) PTGS2FABP4ACKR3
SCHEMBL9963566 0.83 PTGS2 (0.47) PTGS2FABP4LIPGLIPCALDH1A1
SCHEMBL9963564 0.82 PTGS2 (0.43) PTGS2FABP4ALDH1A1
SCHEMBL9963575 0.79 TP53 (0.41) PTGS2LIPGALDH1A1ACHE
SCHEMBL9963556 0.79 PTGS2 (0.48) PTGS2FABP4ALDH1A1
SCHEMBL9963579 0.77 PTGS2 (0.38) PTGS2FABP4LIPGALDH1A1
SCHEMBL9963549 0.76 ACHE (0.46) PTGS2ALDH1A1ACHE
SCHEMBL9963583 0.74 PTGS2 (0.42) PTGS2FABP4ALDH1A1
SCHEMBL9963551 0.74 PTGS2 (0.39) PTGS2FABP4ACHEACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 PTGS2 2872/4885FABP4 1794/4885SSTR4 2264/4885

“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.