SCHEMBL5521702

SCHEMBL5521702

Cc1c(-c2ccc(F)cn2)n(C2CCCCC2)c2ccc(C(=O)O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HCAR3 P49019 3/20 0.42
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
DHODH Q02127 1/20 0.36
TGFBR1 P36897 1/20 0.35
CTSG P08311 1/20 0.35
MAOA P21397 1/20 0.35
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35
TEAD1 P28347 1/20 0.35
TEAD4 Q15561 1/20 0.35
TEAD2 Q15562 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL12051162 0.89 KCNH2 (0.53) KCNH2L3MBTL1GAARAB9ACYP3A4
SCHEMBL3744484 0.83 L3MBTL1 (0.49) KCNH2L3MBTL1GAAHSD17B10HCAR3
SCHEMBL1260412 0.79 L3MBTL1 (0.54) L3MBTL1GAAHSD17B10HCAR3RAB9A
SCHEMBL3747860 0.77 L3MBTL1 (0.56) L3MBTL1GAAHSD17B10HCAR3RAB9A
SCHEMBL12922309 0.75 KCNH2 (0.49) KCNH2L3MBTL1CYP3A4CYP2C19CTSG
SCHEMBL14452260 0.75 CYP3A4 (0.59) KCNH2CYP3A4CYP2C19CTSGMAOA
SCHEMBL12192129 0.74 KCNH2 (0.48) KCNH2CYP3A4CYP2C19CTSGMAOA
SCHEMBL15109291 0.73 KCNH2 (0.58) KCNH2CYP3A4CYP2C19CTSGMAOA
SCHEMBL4431788 0.73 CYP3A4 (0.60) KCNH2CYP3A4CYP2C19CTSGMAOA
SCHEMBL3750336 0.73 RPS6KB1 (0.42) KCNH2L3MBTL1RAB9ACYP3A4CYP2C19

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076365-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-13 US disclosed
US-8076365-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-13 US disclosed
US-20100168098-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-01 US disclosed
US-20100168098-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-01 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 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
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
EP-1771442-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-11 EP disclosed
WO-2007019674-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 WO 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

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-20100168098-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, POLR2E KCNH2 3446/4885L3MBTL1 2754/4885GAA 1036/4885
US-20070249629-A1 Viral Polymerase Inhibitors RPP30, POLR2A, POLR1E KCNH2 4471/4885L3MBTL1 1417/4885GAA 1579/4885
US-20060052418-A1 Viral polymerase inhibitors RPP30, POLR2A, POLR1E KCNH2 4471/4885L3MBTL1 1417/4885GAA 1579/4885

“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.