SCHEMBL1013602

SCHEMBL1013602

CC(C)(C)C(NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.54
CTSB P07858 4/20 0.52
ELANE P08246 2/20 0.52
CTSL P07711 2/20 0.52
CTSV O60911 1/20 0.52
PLG P00747 1/20 0.52
CMA1 P23946 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
CELA1 Q9UNI1 1/20 0.52
LONP1 P36776 4/20 0.46
MAPT P10636 1/20 0.45
PSMB11 A5LHX3 2/20 0.44
PSMA7 O14818 2/20 0.44
PSMB1 P20618 2/20 0.44
PSMA1 P25786 2/20 0.44
PSMA2 P25787 2/20 0.44
PSMA3 P25788 2/20 0.44
PSMA4 P25789 2/20 0.44
PSMB8 P28062 2/20 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
SCHEMBL2410890 1.00 ABCG2 (0.54) ABCG2CTSBELANECTSLCTSV
SCHEMBL3213475 1.00 ABCG2 (0.54) ABCG2CTSBELANECTSLCTSV
SCHEMBL1013600 1.00 ABCG2 (0.54) ABCG2CTSBELANECTSLCTSV
SCHEMBL2408343 1.00 ABCG2 (0.54) ABCG2CTSBELANECTSLCTSV
SCHEMBL464244 1.00 ABCG2 (0.54) ABCG2CTSBELANECTSLCTSV
SCHEMBL464151 0.99 ABCG2 (0.53) ABCG2CTSBELANECTSLCTSV
SCHEMBL12011280 0.92 ABCG2 (0.54) ABCG2CTSBELANECTSLCTSV
SCHEMBL12331437 0.92 ABCG2 (0.54) ABCG2CTSBELANECTSLCTSV
SCHEMBL13092003 0.92 ABCG2 (0.54) ABCG2CTSBELANECTSLCTSV
SCHEMBL12404543 0.91 ABCG2 (0.53) ABCG2CTSBELANECTSLCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103483420-B A kind of Telaprevir intermediate in B crystal form and synthetic method thereof SUZHOU UUGENE BIOPHARMA CO., LTD. (CN) 2015-09-16 CN claimed
CN-103483419-B A kind of Telaprevir intermediate C crystal form and synthetic method thereof SUZHOU UUGENE BIOPHARMA CO., LTD. (CN) 2015-09-09 CN claimed
CN-103497234-B Telaprevir intermediate crystal form-A and synthesis method thereof SUZHOU UUGENE BIOPHARMA CO LTD 2015-07-08 CN claimed
WO-2014083582-A2 NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2014-06-05 WO claimed
CN-103497234-A Telaprevir intermediate crystal form-A and synthesis method thereof SUZHOU UUGENE BIOPHARMA CO LTD 2014-01-08 CN claimed
CN-103483419-A Telaprevir intermediate in crystal form C, and synthesis method thereof SUZHOU UUGENE BIOPHARMA CO LTD 2014-01-01 CN claimed
CN-103483420-A Telaprevir intermediate in B crystal form and synthesis method thereof SUZHOU UUGENE BIOPHARMA CO LTD 2014-01-01 CN claimed
CN-103342736-B A kind of synthetic method of VX-960 SUZHOU UUGENE BIOPHARMA CO., LTD. (CN) 2016-02-10 CN disclosed
CN-103342736-B A kind of synthetic method of VX-960 SUZHOU UUGENE BIOPHARMA CO., LTD. (CN) 2016-02-10 CN disclosed
CN-103483420-B A kind of Telaprevir intermediate in B crystal form and synthetic method thereof SUZHOU UUGENE BIOPHARMA CO., LTD. (CN) 2015-09-16 CN disclosed
CN-103483420-B A kind of Telaprevir intermediate in B crystal form and synthetic method thereof SUZHOU UUGENE BIOPHARMA CO., LTD. (CN) 2015-09-16 CN disclosed
CN-103483419-B A kind of Telaprevir intermediate C crystal form and synthetic method thereof SUZHOU UUGENE BIOPHARMA CO., LTD. (CN) 2015-09-09 CN disclosed
CN-103483419-B A kind of Telaprevir intermediate C crystal form and synthetic method thereof SUZHOU UUGENE BIOPHARMA CO., LTD. (CN) 2015-09-09 CN disclosed
US-20120330015-A1 PROCESS FOR THE PREPARATION OF alpha-ACYLOXY beta-FORMAMIDO AMIDES VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2012-12-27 US disclosed
WO-2011103932-A1 A PROCESS FOR THE PREPARATION OF SUBSTITUTED PROLYL PEPTIDES AND SIMILAR PEPTIDOMIMETICS VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIËNTENZORG (NL) 2011-09-01 WO disclosed
WO-2011103933-A1 PROCESS FOR THE PREPARATION OF α-ACYLOXY β-FORMAMIDO AMIDES VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIËNTENZORG (NL) 2011-09-01 WO disclosed
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 EP disclosed
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-02-04 US disclosed
WO-2008074035-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-19 WO disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US 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-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP ABCG2 515/4885CTSB 38/4885ELANE 108/4885
US-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ABCG2 211/4885CTSB 1766/4885ELANE 169/4885
US-20120330015-A1 PROCESS FOR THE PREPARATION OF alpha-ACYLOXY beta-FORMAMIDO AMIDES ASPH, NGLY1, C9 ABCG2 3443/4885CTSB 836/4885ELANE 4106/4885

“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.