SCHEMBL825040

SCHEMBL825040

COC(=O)N[C@H](C(=O)C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
TSHR P16473 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
PREP P48147 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
SCHEMBL3266601 1.00 CA12 (0.39) CA12CA14CTSSCTSKSMN1; SMN2
SCHEMBL8907865 1.00 CA12 (0.39) CA12CA14CTSSCTSKSMN1; SMN2
SCHEMBL19324034 0.86 CA12 (0.36) CA12CA14CTSSCTSKSMN1; SMN2
SCHEMBL15429738 0.84 CTSL (0.32) CTSSSMN1; SMN2
SCHEMBL12018320 0.84 CTSL (0.32) CTSSSMN1; SMN2
SCHEMBL15976277 0.84 CTSL (0.32) CTSSSMN1; SMN2
SCHEMBL18949041 0.84 CTSL (0.32) CTSSSMN1; SMN2
SCHEMBL8910274 0.84 CTSL (0.32) CTSSSMN1; SMN2
SCHEMBL8910571 0.84 CTSL (0.32) CTSSSMN1; SMN2
SCHEMBL8909072 0.82

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9828365-B2 Fused tetracyclic heterocyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-11-28 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS 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-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-7704992-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-27 US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 US disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 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 (15 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-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS CA12 3943/4885CA14 3288/4885CTSS 2285/4885
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CA12 3169/4885CA14 2813/4885CTSS 864/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA14 4112/4885CTSS 445/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA14 4112/4885CTSS 445/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CA12 3959/4885CA14 3777/4885CTSS 2638/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CA12 4403/4885CA14 4083/4885CTSS 853/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC CA12 4380/4885CA14 4313/4885CTSS 563/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CA12 4309/4885CA14 3640/4885CTSS 925/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CA12 4028/4885CA14 3512/4885CTSS 2582/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CA12 3959/4885CA14 3777/4885CTSS 2638/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CA12 3084/4885CA14 3033/4885CTSS 571/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA14 4112/4885CTSS 445/4885
US-20090202483-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CA12 3169/4885CA14 2813/4885CTSS 864/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CA12 4309/4885CA14 3640/4885CTSS 925/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA14 4112/4885CTSS 445/4885

“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.