SCHEMBL846440

SCHEMBL846440

CCC(O)(C(=O)C(C)(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GLS O94925 4/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
RIPK1 Q13546 2/20 0.43

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
SCHEMBL584028 0.81 CYP2C19 (0.47) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL7899580 0.81 CYP2C19 (0.47) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL5570579 0.81 CYP2C19 (0.47) CYP2C19HIF1AHDAC3HDAC4HDAC1
Ammonia Solution, Strong SCHEMBL3396016 0.79 CYP2C19 (0.45) CYP2C19HIF1ALMNAHTTL3MBTL1
SCHEMBL14723764 0.79 CYP2C19 (0.45) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL13946510 0.78 MAPT (0.55) CYP2C19HIF1ALMNAHTTL3MBTL1
SCHEMBL3837958 0.78 MAPT (0.55) CYP2C19HIF1ALMNAHTTL3MBTL1
SCHEMBL13946506 0.78 MAPT (0.55) CYP2C19HIF1ALMNAHTTL3MBTL1
SCHEMBL10730469 0.77 GLS (0.49) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL8910393 0.77 KMT2A (0.48) CYP2C19HIF1AHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822444-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 US disclosed
US-20120277266-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-11-01 US disclosed
US-8211928-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-03 US disclosed
US-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 US disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
US-20100249190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 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 (6 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4311/4885HIF1A 3448/4885HDAC3 2171/4885
US-20100249190-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4311/4885HIF1A 3448/4885HDAC3 2171/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4311/4885HIF1A 3448/4885HDAC3 2171/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4311/4885HIF1A 3448/4885HDAC3 2171/4885
US-20120277266-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4311/4885HIF1A 3448/4885HDAC3 2171/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C19 4378/4885HIF1A 3245/4885HDAC3 2069/4885

“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.