SCHEMBL8917694

SCHEMBL8917694

CCC(=O)[C@H](C)NC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.35
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EPHX1 P07099 1/20 0.33
MMP3 P08254 1/20 0.33
TSHR P16473 1/20 0.32
TGFBR1 P36897 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CYP2C9 P11712 1/20 0.31
GAA P10253 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL8915661 1.00 ACACB (0.35) ACACBMMP1MMP2SMN1; SMN2EPHX1
SCHEMBL14816710 1.00 ACACB (0.35) ACACBMMP1MMP2SMN1; SMN2EPHX1
SCHEMBL19334094 0.83 SMN1; SMN2 (0.41) ACACBSMN1; SMN2CYP2C9GAA
SCHEMBL19578417 0.83 SMN1; SMN2 (0.41) ACACBSMN1; SMN2CYP2C9GAA
SCHEMBL8915442 0.83 SMN1; SMN2 (0.41) ACACBSMN1; SMN2CYP2C9GAA
SCHEMBL12146078 0.79 CA1 (0.51) CA14CYP2C9CA12CA1CA2
SCHEMBL13631291 0.79 CA1 (0.51) CA14CYP2C9CA12CA1CA2
SCHEMBL13890452 0.79 CA1 (0.51) CA14CYP2C9CA12CA1CA2
SCHEMBL13048834 0.78 CTSK (0.36) ACACBMMP1MMP2SMN1; SMN2EPHX1
SCHEMBL10177450 0.78 CTSK (0.36) ACACBMMP1MMP2SMN1; SMN2EPHX1

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-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
WO-2014131315-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-09-04 WO disclosed
WO-2014082380-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-06-05 WO disclosed
WO-2014082381-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-06-05 WO disclosed
US-20130034520-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-07 US disclosed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 US disclosed
US-8329159-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 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-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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 (9 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-20130034520-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACACB 58/4885MMP1 3898/4885MMP2 1142/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACACB 58/4885MMP1 3898/4885MMP2 1142/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ACACB 58/4885MMP1 3898/4885MMP2 1142/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ACACB 1800/4885MMP1 3688/4885MMP2 3149/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACACB 58/4885MMP1 3898/4885MMP2 1142/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ACACB 472/4885MMP1 2645/4885MMP2 3053/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ACACB 345/4885MMP1 4554/4885MMP2 3981/4885
US-20130004457-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACACB 58/4885MMP1 3898/4885MMP2 1142/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACACB 58/4885MMP1 3898/4885MMP2 1142/4885

“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.