SCHEMBL2890882

SCHEMBL2890882

CON(C)C(=O)[C@@H]1CC[C@H](c2ccccc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
FFAR2 O15552 1/20 0.40
RIPK1 Q13546 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
MCL1 Q07820 3/20 0.38
BCL2 P10415 1/20 0.38
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 1/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL2890888 1.00 ABCB1 (0.41) ABCB1FFAR2RIPK1GPR119MCL1
SCHEMBL2890883 1.00 ABCB1 (0.41) ABCB1FFAR2RIPK1GPR119MCL1
SCHEMBL10209962 0.89 ABCB1 (0.44) ABCB1FFAR2RIPK1GPR119USP30
SCHEMBL28528400 0.88 GPR119 (0.41) ABCB1GPR119
SCHEMBL21094096 0.87 FFAR2 (0.44) ABCB1FFAR2RIPK1UCHL1USP30
SCHEMBL21094369 0.87 RIPK1 (0.45) FFAR2RIPK1GPR119
SCHEMBL8870747 0.86 ABCB1 (0.41) ABCB1FFAR2RIPK1GPR119UCHL1
SCHEMBL8870762 0.86 ABCB1 (0.41) ABCB1FFAR2RIPK1GPR119UCHL1
SCHEMBL20835408 0.85 FFAR2 (0.45) FFAR2RIPK1MCL1BCL2
SCHEMBL21094088 0.84 FFAR2 (0.42) FFAR2GPR119

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
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
EP-1725102-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-04-29 EP disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
EP-1725102-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005092099-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-10-06 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-20080009490-A1 Hiv Integrase Inhibitors TYMS, UNG, TYMP ABCB1 233/4885FFAR2 4535/4885RIPK1 1951/4885

“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.