SCHEMBL2856542

SCHEMBL2856542

COC(=O)C(Cc1ccc(Cl)cc1)NC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.58
ACACB O00763 1/20 0.54
TACR1 P25103 2/20 0.51
ATM Q13315 2/20 0.50
PYGL P06737 1/20 0.49
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL29469535 1.00 NOS2 (0.58) NOS2ACACBTACR1ATMPYGL
SCHEMBL2856548 1.00 NOS2 (0.58) NOS2ACACBTACR1ATMPYGL
SCHEMBL2854351 0.88 TACR1 (0.55) NOS2ACACBTACR1ALDH1A1THRB
SCHEMBL2854353 0.88 TACR1 (0.55) NOS2ACACBTACR1ALDH1A1THRB
SCHEMBL15498913 0.88 ATM (0.50) NOS2TACR1ATMALDH1A1THRB
SCHEMBL2859969 0.87 ACACB (0.53) NOS2ACACBTACR1ALDH1A1
SCHEMBL2859966 0.87 ACACB (0.53) NOS2ACACBTACR1ALDH1A1
SCHEMBL17176127 0.86 ATM (0.63) NOS2ACACBTACR1ATMALDH1A1
SCHEMBL3050135 0.86 NPSR1 (0.61) TACR1ATMALDH1A1KMT2ANPSR1
SCHEMBL315117 0.86 NPSR1 (0.61) TACR1ATMALDH1A1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
EP-1346971-B1 Production method for biarylalanine SUMITOMO CHEMICAL CO (JP) 2010-01-20 EP disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
US-7091373-B2 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 EP 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 (2 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-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH NOS2 421/4885ACACB 2960/4885TACR1 2442/4885
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain HTR2C, HTR2A, HTR5A NOS2 536/4885ACACB 3542/4885TACR1 67/4885

“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.