SCHEMBL996638

SCHEMBL996638

CCOC(=O)c1csc(C2CCCCC2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
RAB9A P51151 8/20 0.54
MAPT P10636 6/20 0.54
NPC1 O15118 6/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CASP3 P42574 1/20 0.53
CASP7 P55210 1/20 0.53
CASP8 Q14790 1/20 0.53
GAA P10253 2/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CTSK P43235 1/20 0.45
HPGD P15428 2/20 0.44
HSP90AA1 P07900 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
SCHEMBL1245930 0.99 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL2142696 0.96 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL2142237 0.93 RAB9A (0.57) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL27107999 0.89 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL3435708 0.88 RAB9A (0.52) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL17885697 0.88 RAB9A (0.52) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL1228518 0.86 BAZ2A (0.52) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL2077891 0.86 CASP3 (0.54) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL28507736 0.86 RAB9A (0.51) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL2982899 0.86 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1

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 86 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
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
CN-102627639-B Macrocydic inhibitors of hepatitis c virus. 爱尔兰詹森科学公司 2017-04-12 CN disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 US disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 US disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 2009-11-12 US disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 2009-11-12 US disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 2009-11-12 US disclosed
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 WO disclosed
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 WO disclosed
CN-101228169-A Macrocyclic inhibitors of hepatitis c virus TIBOTEC PHARM LTD (IE) 2008-07-23 CN disclosed
EP-1912999-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
WO-2007014926-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014926-A1 MACROCYCLIC 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 SMN1; SMN2 4284/4885RAB9A 2446/4885MAPT 4865/4885
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus CYP2A7, CYP3A7, HCCS SMN1; SMN2 4284/4885RAB9A 2446/4885MAPT 4865/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS SMN1; SMN2 4284/4885RAB9A 2446/4885MAPT 4865/4885
US-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 SMN1; SMN2 3818/4885RAB9A 3326/4885MAPT 978/4885

“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.