SCHEMBL8910393

SCHEMBL8910393

CC(C)(C)C(=O)[C@@](C)(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
KCNN4 O15554 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 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
SCHEMBL13543298 1.00 KMT2A (0.48) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL12344625 1.00 KMT2A (0.48) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL9578904 0.91 MAPT (0.52) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL408186 0.82 KMT2A (0.48) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL198241 0.81 MAPT (0.52) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL21557850 0.81 MAPT (0.52) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL153694 0.81 MAPT (0.52) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL4326795 0.81 MAPT (0.52) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL197251 0.81 MAPT (0.52) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL10444264 0.80 KMT2A (0.47) KMT2AMAPTCYP2C19HIF1AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 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-8383094-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KMT2A 3866/4885MAPT 2725/4885CYP2C19 3727/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KMT2A 3866/4885MAPT 2725/4885CYP2C19 3727/4885
US-20100080772-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885MAPT 4065/4885CYP2C19 3369/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KMT2A 2957/4885MAPT 4133/4885CYP2C19 418/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KMT2A 2844/4885MAPT 4186/4885CYP2C19 431/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 KMT2A 2014/4885MAPT 4073/4885CYP2C19 392/4885

“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.