SCHEMBL2197678

SCHEMBL2197678

CC(C)(C)O[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)[C@@H]5C[C@@H](OC(C)(C)C)CN5C(=O)[C@H]5CCCO5)cc4)o3)cc2)N(C(=O)[C@H]2CCCO2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 15/20 0.43
ALDH1A1 P00352 13/20 0.43
KDM4E B2RXH2 8/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HSD17B10 Q99714 4/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 11/20 0.41
RAB9A P51151 10/20 0.41
TP53 P04637 5/20 0.41
MAPT P10636 4/20 0.41
PKM P14618 2/20 0.39
POLB P06746 4/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GLA P06280 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
SCHEMBL2192006 0.88 KMT2A (0.39) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL2193703 0.88 NPC1 (0.41) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL2195166 0.88 NPC1 (0.39) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL13572005 0.86 NPC1 (0.44) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL2193547 0.86 HPGD (0.48) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL2193209 0.86 NPC1 (0.43) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL2198336 0.84 KMT2A (0.38) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL844988 0.83 HPGD (0.43) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2196126 0.83 MEN1 (0.45) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL14647982 0.82 NPC1 (0.42) HPGDALDH1A1KDM4ESMN1; SMN2MEN1

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 HPGD 3682/4885ALDH1A1 3778/4885KDM4E 3330/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 HPGD 3682/4885ALDH1A1 3778/4885KDM4E 3330/4885

“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.