SCHEMBL2195141

SCHEMBL2195141

CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)C4CC(=O)N(CCc5cccs5)C4)cc3)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXFP3 Q9NSD7 15/20 0.48
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL18887503 0.85 L3MBTL1 (0.45) RXFP3MAPK1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14647991 0.84 RXFP3 (0.47) RXFP3MAPK1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2195142 0.82 RXFP3 (0.45) RXFP3ALDH1A1SMN1; SMN2POLB
SCHEMBL2196787 0.80 ALDH1A1 (0.49) MAPK1ALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL2194188 0.78 MAPK1 (0.42) MAPK1L3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL845545 0.78 L3MBTL1 (0.45) RXFP3MAPK1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2192157 0.77 MAPT (0.58) MAPK1L3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL12489924 0.76 MEN1 (0.45) MAPK1ALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL2192758 0.76 MAPT (0.47) MAPK1L3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL12491248 0.75 MAPK1 (0.46) MAPK1ALDH1A1SMN1; SMN2HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US claimed
CN-102791693-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-11-21 CN claimed
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP claimed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US claimed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO claimed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 RXFP3 4798/4885MAPK1 1678/4885L3MBTL1 2276/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 RXFP3 4798/4885MAPK1 1678/4885L3MBTL1 2276/4885

“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.