SCHEMBL2728071

SCHEMBL2728071

CC(C)(C)OC(=O)NC(Cc1ccc(I)cc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.53
CTSS P25774 7/20 0.52
CTSK P43235 6/20 0.52
CTSB P07858 2/20 0.51
CTSL P07711 1/20 0.51
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
ACE P12821 1/20 0.49
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
AKT1 P31749 1/20 0.45
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL2075220 1.00 REN (0.53) RENCTSSCTSKCTSBCTSL
SCHEMBL2730114 1.00 REN (0.53) RENCTSSCTSKCTSBCTSL
SCHEMBL10077582 0.90 CTSS (0.53) CTSSCTSKCTSBCTSLITGB3
SCHEMBL5887534 0.88 CTSS (0.53) CTSSCTSKCTSBCTSLITGB3
SCHEMBL14975662 0.88 REN (0.54) RENCTSSCTSKCTSBCTSL
SCHEMBL4710784 0.88 REN (0.54) RENCTSSCTSKCTSBCTSL
SCHEMBL3901262 0.88 ACE (0.62) CTSSCTSKCTSBCTSLITGB3
SCHEMBL20661658 0.88 REN (0.54) RENCTSSCTSKCTSBCTSL
SCHEMBL1201951 0.88 ACE (0.62) CTSSCTSKCTSBCTSLITGB3
SCHEMBL19575827 0.88 REN (0.54) RENCTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925112-A Preparation method of key intermediate for boron neutron capture therapy 海南普利制药股份有限公司 2023-10-24 CN disclosed
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9359375-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8846928-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
EP-2635556-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 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 (3 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-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK REN 4517/4885CTSS 1406/4885CTSK 1202/4885
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK REN 4517/4885CTSS 1406/4885CTSK 1202/4885
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK REN 4517/4885CTSS 1406/4885CTSK 1202/4885

“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.