SCHEMBL996815

SCHEMBL996815

O=C(O)c1csc(C2CCCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.51
CASP8 Q14790 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMO O15229 1/20 0.45
PIM1 P11309 5/20 0.45
PIM3 Q86V86 5/20 0.45
PIM2 Q9P1W9 5/20 0.45
HCAR2 Q8TDS4 1/20 0.39
PTGER2 P43116 1/20 0.39
DNM1L O00429 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1247127 0.98 LDHA (0.49) LDHACASP8L3MBTL1KDM4EGLA
SCHEMBL2143075 0.95 CASP8 (0.47) LDHACASP8L3MBTL1KDM4EGLA
SCHEMBL1141577 0.91 CASP8 (0.49) LDHACASP8L3MBTL1KDM4EHCAR2
SCHEMBL2554941 0.85 PIM1 (0.46) LDHAKDM4EKMT2APIM1PIM3
SCHEMBL11912169 0.85 PIM1 (0.44) LDHAKMT2ASMN1; SMN2PIM1PIM3
SCHEMBL24362835 0.85 CASP8 (0.45) LDHACASP8L3MBTL1KDM4EPIM1
SCHEMBL28264041 0.85 PIM1 (0.46) LDHAKDM4EKMT2APIM1PIM3
SCHEMBL3553602 0.85 CASP8 (0.45) LDHACASP8L3MBTL1KDM4EPIM1
SCHEMBL2976263 0.84 LDHA (0.42) LDHACASP8KDM4EKMT2APIM1
SCHEMBL20850964 0.83 PIM1 (0.43) LDHAHTTSMN1; SMN2PIM1PIM3

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
CN-102924445-B PIM kinase inhibitor, preparation method thereof, and application thereof in pharmacy SHANGHAI JIKAI MEDICAL TECHNOLOGY CO LTD 2015-07-08 CN claimed
CN-102924445-A PIM kinase inhibitor, preparation method thereof, and application thereof in pharmacy SHANGHAI JIKAI MEDICAL TECHNOLOGY CO LTD 2013-02-13 CN claimed
WO-2025003987-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2025-01-02 WO disclosed
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
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 (2 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 LDHA 4409/4885CASP8 868/4885L3MBTL1 1862/4885
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus CYP2A7, CYP3A7, HCCS LDHA 4409/4885CASP8 868/4885L3MBTL1 1862/4885

“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.