SCHEMBL5887308

SCHEMBL5887308

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
ALDH1A1 P00352 2/20 0.49
TACR1 P25103 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
HDAC1 Q13547 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
MDM4 O15151 1/20 0.46
MDM2 Q00987 1/20 0.46

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
SCHEMBL2520016 1.00 ATM (0.50) ATMALDH1A1TACR1THRBCYP2C9
SCHEMBL5887162 0.88 TACR1 (0.53) TACR1LMNA
SCHEMBL5887159 0.88 TACR1 (0.53) TACR1LMNA
SCHEMBL30583020 0.88 ATM (0.50) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL5887604 0.87 TACR1 (0.46) TACR1LMNA
SCHEMBL5887606 0.87 TACR1 (0.46) TACR1LMNA
SCHEMBL5182131 0.86 POLB (0.49) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL17176127 0.86 ATM (0.63) ATMALDH1A1TACR1THRBCYP2C9
SCHEMBL14542254 0.86 ALDH1A1 (0.54) ATMALDH1A1TACR1THRBCYP2C9
SCHEMBL315117 0.86 NPSR1 (0.61) ATMALDH1A1TACR1KMT2ANPSR1

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
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
EP-1836159-B1 Antibiotic binaphthyl derivatives UNIV WOLLONGONG (AU) 2013-04-10 EP disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
EP-2199300-A2 Peptidic compounds The University Of Wollongong (AU) 2010-06-23 EP disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 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 (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-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN ATM 4785/4885ALDH1A1 4208/4885TACR1 76/4885
US-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH ATM 4004/4885ALDH1A1 1622/4885TACR1 2442/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN ATM 4800/4885ALDH1A1 4179/4885TACR1 74/4885

“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.