SCHEMBL10162448

SCHEMBL10162448

CCN(CC)C(=O)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
EHMT2 Q96KQ7 3/20 0.41
EHMT1 Q9H9B1 3/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 3/20 0.35
THPO P40225 2/20 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
Hydrochloric Acid SCHEMBL10861818 0.83 LMNA (0.33) LMNAMMP1MMP2MMP3MMP8
SCHEMBL9076012 0.81 LMNA (0.43) LMNAMMP1MMP2MMP3MMP8
SCHEMBL17192892 0.80 LMNA (0.34) LMNAMMP1MMP2MMP3MMP8
SCHEMBL20849668 0.78 LMNA (0.37) LMNAMMP1MMP2MMP3MMP8
SCHEMBL15116621 0.78 MLYCD (0.35) LMNAMMP1MMP2MMP3MMP8
Hydrochloric Acid SCHEMBL668539 0.78
SCHEMBL28722728 0.77 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
SCHEMBL22641559 0.77 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
SCHEMBL21608 0.77 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
SCHEMBL52110 0.75 LMNA (0.43) LMNAMMP1MMP2MMP3MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20130052109-A1 COMPOSITIONS FOR ABSORBING CARBON DIOXIDE, AND RELATED PROCESSES AND SYSTEMS GENERAL ELECTRIC COMPANY (US) 2013-02-28 US disclosed
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
EP-2409985-A2 Inhibitors de serine proteases, especially of the NS3 protease of the hepatitis C virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-25 EP disclosed
EP-2314598-A1 Inhibitors of Hepatitis C virus NS3 serine protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-27 EP disclosed
US-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 US disclosed
WO-2010025436-A2 NITROGEN AND SULFUR-CONTAINING HETEROCYCLE DERIVATIVES TRIAD MULTITECH PHARMACEUTICALS, INC. (US) 2010-03-04 WO disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 US disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 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 (7 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-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 LMNA 4392/4885MMP1 4641/4885MMP2 3085/4885
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 LMNA 2150/4885MMP1 572/4885MMP2 196/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 LMNA 4392/4885MMP1 4641/4885MMP2 3085/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 LMNA 4392/4885MMP1 4641/4885MMP2 3085/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 LMNA 4392/4885MMP1 4641/4885MMP2 3085/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS LMNA 4275/4885MMP1 4590/4885MMP2 3058/4885
US-20100216749-A1 Combination Therapy for Neuroprotection MPO, BDNF, NLN LMNA 4375/4885MMP1 287/4885MMP2 119/4885

“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.