SCHEMBL972306

SCHEMBL972306

Cc1c(C2CCCC2)c2ccc(C(=O)O)cc2n1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
SCN9A Q15858 7/20 0.43
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
KMO O15229 1/20 0.41
HCAR3 P49019 3/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
ENPP2 Q13822 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN5A Q14524 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 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
SCHEMBL13662214 0.89 SCN9A (0.43) SCN9AGAASCN5A
SCHEMBL27587068 0.86 SCN9A (0.43) L3MBTL1SCN9APRKCAMMP12KMO
SCHEMBL9613333 0.86 SCN9A (0.46) L3MBTL1SCN9AKDM4ESCN5ACYP3A4
SCHEMBL973251 0.85 SCN9A (0.42) L3MBTL1SCN9APRKCAMMP12KMO
SCHEMBL10063545 0.85 SCN9A (0.42) L3MBTL1SCN9APRKCAMMP12KMO
SCHEMBL899942 0.85 SCN9A (0.42) L3MBTL1SCN9APRKCAMMP12KMO
SCHEMBL5508333 0.84 SCN9A (0.42) L3MBTL1SCN9APRKCAMMP12KMO
SCHEMBL2276096 0.84 SCN9A (0.44) L3MBTL1SCN9APRKCAMMP12KMO
SCHEMBL971177 0.83 CCR3 (0.44) L3MBTL1SCN9APRKCAMMP12KMO
SCHEMBL972396 0.83 SCN9A (0.41) L3MBTL1SCN9APRKCAMMP12KMO

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-103333162-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-10-02 CN disclosed
CN-103319464-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-09-25 CN disclosed
CN-103304541-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-09-18 CN disclosed
EP-2626354-A1 Viral polymerase inhibitors Boehringer Ingelheim International GmbH (DE) 2013-08-14 EP disclosed
EP-2626354-A1 Viral polymerase inhibitors Boehringer Ingelheim International GmbH (DE) 2013-08-14 EP disclosed
EP-1718608-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-07-17 EP disclosed
EP-1718608-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-07-17 EP disclosed
CN-102911161-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-02-06 CN disclosed
US-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
US-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
CN-1984908-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-06-20 CN disclosed
EP-1771442-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-11 EP disclosed
CN-1922174-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-02-28 CN disclosed
EP-1718608-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2006-11-08 EP disclosed
US-20060052418-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-09 US disclosed
WO-2006007693-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed
US-20050222236-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 US disclosed
WO-2005080388-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-01 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-20050222236-A1 Viral polymerase inhibitors POLR2A, POLR1E, RPP30 L3MBTL1 1210/4885SCN9A 390/4885PRKCA 2153/4885
US-20060052418-A1 Viral polymerase inhibitors RPP30, POLR2A, POLR1E L3MBTL1 1417/4885SCN9A 333/4885PRKCA 2238/4885

“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.