SCHEMBL1554638

SCHEMBL1554638

O=C(O)c1ccc(CNc2nc(Nc3ccc(C(=O)O)cc3)nc(OCC(F)(F)F)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CFTR P13569 4/20 0.53
KCNH3 Q9ULD8 4/20 0.47
RORC P51449 2/20 0.47
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
MAPT P10636 1/20 0.44
VNN1 O95497 1/20 0.44
PTK2 Q05397 4/20 0.44
ALDH1A1 P00352 1/20 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
SCHEMBL1554572 0.96 MEN1 (0.51) MEN1LMNAKMT2ATDP1L3MBTL1
SCHEMBL15905283 0.95 PTK2 (0.51) MEN1LMNAKMT2ATDP1L3MBTL1
SCHEMBL1554621 0.92 MEN1 (0.47) MEN1LMNAKMT2ATDP1L3MBTL1
SCHEMBL1555631 0.92 L3MBTL1 (0.64) MEN1LMNAKMT2ATDP1L3MBTL1
SCHEMBL2124834 0.90 MEN1 (0.46) MEN1LMNAKMT2ATDP1L3MBTL1
SCHEMBL2123078 0.89 CFTR (0.45) MEN1LMNAKMT2ATDP1L3MBTL1
SCHEMBL1555144 0.89 FFAR1 (0.50) MEN1LMNAKMT2ATDP1L3MBTL1
SCHEMBL1555624 0.89 CFTR (0.45) MEN1LMNAKMT2ATDP1L3MBTL1
SCHEMBL1554628 0.89 MEN1 (0.53) MEN1LMNAKMT2ATDP1L3MBTL1
SCHEMBL1555581 0.89 CFTR (0.45) MEN1LMNAKMT2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697230-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-03-30 EP disclosed
EP-2697230-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-03-30 EP disclosed
EP-2697230-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2014-02-19 EP disclosed
US-8586584-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-8586584-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
EP-2488526-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2013-07-24 EP disclosed
US-8445490-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-21 US disclosed
US-8445490-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-21 US disclosed
US-8445490-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-21 US disclosed
WO-2012141704-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-18 WO disclosed
WO-2012141704-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-18 WO disclosed
EP-2488526-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2012-08-22 EP disclosed
US-20120093766-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20120093766-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20120093766-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
WO-2011047119-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 WO disclosed
WO-2011047119-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 WO disclosed
US-20110086858-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-04-14 US disclosed
US-20110086858-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-04-14 US disclosed
US-20110086858-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-04-14 US 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-20120093766-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS MEN1 4684/4885LMNA 3006/4885KMT2A 4752/4885
US-20110086858-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS MEN1 4684/4885LMNA 3006/4885KMT2A 4752/4885

“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.