SCHEMBL994818

SCHEMBL994818

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru]=C1C=C(c2ccccc2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.37
PTPRC P08575 2/20 0.37
PTPRF P10586 2/20 0.37
CDC25B P30305 2/20 0.37
BACE1 P56817 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL21113725 0.82 PTPN1 (0.52) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL19547127 0.78 PTPN1 (0.37) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL28887375 0.78 PTPN1 (0.34) PTPN1PTPRCPTPRFCDC25BMEN1
SCHEMBL727947 0.78 PTPN1 (0.34) PTPN1PTPRCPTPRFCDC25BMEN1
Hydrochloric Acid SCHEMBL4450657 0.77 PTPN1 (0.36) PTPN1PTPRCPTPRFCDC25BMEN1
Hydrochloric Acid SCHEMBL994817 0.77 PTPN1 (0.36) PTPN1PTPRCPTPRFCDC25BMEN1
SCHEMBL4454087 0.74
SCHEMBL14995044 0.73
Hydrochloric Acid SCHEMBL727675 0.73
Biphenyl SCHEMBL28193720 0.73 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
EP-2310396-B1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2017-09-06 EP disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
WO-2017064680-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF SIMEPREVIR SODIUM AND INTERMEDIATE THEREOF LUPIN LIMITED (IN) 2017-04-20 WO disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-9427440-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 US disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 US disclosed
US-9365582-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2016-06-14 US disclosed
US-9353103-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2016-05-31 US disclosed
US-9334282-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-05-10 US disclosed
WO-2008135488-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-11-13 WO disclosed
US-20080262058-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2008-10-23 US disclosed
US-20080200503-A1 Macrocylic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2008-08-21 US disclosed
WO-2008096001-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed
WO-2008095999-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed
WO-2008096002-A1 HCV INHIBITING MACROCYCLIC PHOSPHONATES AND AMIDOPHOSPHATES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed
WO-2008092955-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-07 WO disclosed
WO-2008059046-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-05-22 WO disclosed
EP-1912997-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
WO-2007014925-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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 (4 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS PTPN1 1327/4885PTPRC 1244/4885PTPRF 2860/4885
US-20080262058-A1 Macrocylic Inhibitors of Hepatitis C Virus HAVCR2, HCCS, EIF2AK2 PTPN1 1937/4885PTPRC 567/4885PTPRF 1030/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS PTPN1 1327/4885PTPRC 1244/4885PTPRF 2860/4885
US-20080200503-A1 Macrocylic Inhibitors Of Hepatitis C Virus HAVCR2, HCCS, CYP7A1 PTPN1 1347/4885PTPRC 1414/4885PTPRF 2976/4885

“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.