SCHEMBL2196987

SCHEMBL2196987

O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4ccco4)cc3)o2)cc1)[C@@H]1CCCN1C(=O)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
POLB P06746 2/20 0.43
DGAT1 O75907 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RHOA P61586 1/20 0.41

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
SCHEMBL14648247 0.88 HSD17B10 (0.54) HSD17B10PTPN2PTPN1POLBCTDSP1
SCHEMBL13571673 0.84 ALDH1A1 (0.47) HSD17B10DGAT1NPC1RAB9AALDH1A1
SCHEMBL2193424 0.84 NPC1 (0.42) HSD17B10POLBDGAT1NPC1RAB9A
SCHEMBL2197318 0.84 TSHR (0.41) HSD17B10DGAT1NPC1RAB9AALDH1A1
SCHEMBL2196787 0.83 ALDH1A1 (0.49) HSD17B10POLBNPC1RAB9AALDH1A1
SCHEMBL14664066 0.83 SMO (0.46) HSD17B10PTPN1NPC1RAB9AALDH1A1
SCHEMBL13570409 0.83 SMO (0.46) HSD17B10PTPN1NPC1RAB9AALDH1A1
SCHEMBL2196742 0.83 RHOC (0.43) HSD17B10POLBDGAT1NPC1RAB9A
SCHEMBL2192157 0.83 MAPT (0.58) POLBTDP1ALDH1A1MAPTHPGD
SCHEMBL2196156 0.83 HCRTR1 (0.51) HSD17B10NPC1RAB9AALDH1A1KDM4E

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 8 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
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-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-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 HSD17B10 2037/4885PTPN2 404/4885PTPN1 409/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 HSD17B10 2037/4885PTPN2 404/4885PTPN1 409/4885

“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.