Sugi Predict

Sugi Predict / Compounds / SCHEMBL627377

SCHEMBL627377

SCHEMBL627377

CC(=O)N[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.52
▸ FPR2 P25090 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NAALAD2 Q9Y3Q0 1/20 0.50
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ LTA4H P09960 1/20 0.48
▸ ANPEP P15144 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 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
SCHEMBL4250144 1.00 SRC (0.52) SRCFPR2LMNAMAPK1NAALAD2
SCHEMBL3376625 1.00 SRC (0.52) SRCFPR2LMNAMAPK1NAALAD2
SCHEMBL5936861 0.98 SRC (0.50) SRCFPR2LMNAMAPK1NAALAD2
SCHEMBL14397406 0.88 FPR2 (0.49) SRCFPR2LMNAMAPK1NAALAD2
SCHEMBL5744468 0.88 TACR3 (0.48) SRCMTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL890060 0.88 TACR3 (0.48) SRCMTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL18610229 0.88 TACR3 (0.48) SRCMTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL6970828 0.86 MTNR1A (0.46) SRCMTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL9068474 0.85 HPGD (0.49) SRCFPR2LMNAMAPK1NAALAD2
SCHEMBL14339911 0.85 HPGD (0.49) SRCFPR2LMNAMAPK1NAALAD2

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036679-A1 METHOD FOR RESOLVING ENANTIOMERS FROM RACEMIC MIXTURE HAVING CHIRAL CARBON IN ALPHA POSITION OF NITROGEN CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2009-02-05 — — US claimed
EP-1984358-A1 METHOD FOR RESOLVING ENANTIOMERS FROM RACEMIC MIXTURE HAVING CHIRAL CARBON IN ALPHA POSITION OF NITROGEN Chong Kun Dang Pharmaceutical Corp. (KR) 2008-10-29 — — EP claimed
WO-2007091753-A1 METHOD FOR RESOLVING ENANTIOMERS FROM RACEMIC MIXTURE HAVING CHIRAL CARBON IN ALPHA POSITION OF NITROGEN CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2007-08-16 — — WO claimed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 — — EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 — — EP disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
US-20090036679-A1 METHOD FOR RESOLVING ENANTIOMERS FROM RACEMIC MIXTURE HAVING CHIRAL CARBON IN ALPHA POSITION OF NITROGEN CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2009-02-05 — — US disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 — — EP disclosed
EP-1984358-A1 METHOD FOR RESOLVING ENANTIOMERS FROM RACEMIC MIXTURE HAVING CHIRAL CARBON IN ALPHA POSITION OF NITROGEN Chong Kun Dang Pharmaceutical Corp. (KR) 2008-10-29 — — EP disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 — — WO disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 — — US disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 — — WO disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 — — US disclosed
WO-2007091753-A1 METHOD FOR RESOLVING ENANTIOMERS FROM RACEMIC MIXTURE HAVING CHIRAL CARBON IN ALPHA POSITION OF NITROGEN CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2007-08-16 — — 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 (6 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL SRC 910/4885FPR2 3926/4885LMNA 3265/4885
US-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF SRC 1723/4885FPR2 1792/4885LMNA 4280/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SRC 725/4885FPR2 3812/4885LMNA 3159/4885
US-20090036679-A1 METHOD FOR RESOLVING ENANTIOMERS FROM RACEMIC MIXTURE HAVING CHIRAL CARBON IN ALPHA POSITION OF NITROGEN SRR, NPEPPS, DNPEP SRC 2827/4885FPR2 2895/4885LMNA 1837/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SRC 725/4885FPR2 3812/4885LMNA 3159/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC SRC 49/4885FPR2 3342/4885LMNA 4496/4885

“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.