Sugi Predict

Sugi Predict / Compounds / SCHEMBL3136686

SCHEMBL3136686

SCHEMBL3136686

CC(C)(C)OC(=O)C(N)Cc1cscn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.43
▸ DPP8 Q6V1X1 2/20 0.43
▸ DPP9 Q86TI2 2/20 0.43
▸ OPRD1 P41143 1/20 0.39
▸ SCN9A Q15858 1/20 0.37
▸ GPR88 Q9GZN0 1/20 0.36
▸ LTA4H P09960 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SLC7A5 Q01650 1/20 0.33
▸ GPR142 Q7Z601 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ SYK P43405 1/20 0.32
▸ LY96 Q9Y6Y9 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CAPN1 P07384 1/20 0.32
▸ CTSK P43235 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL3591815 0.89 DPP4 (0.41) DPP4DPP8DPP9OPRD1SCN9A
SCHEMBL3783139 0.84 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL2736355 0.84 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL19699150 0.84 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL2175492 0.83 SCN9A (0.39) DPP4DPP8DPP9OPRD1SCN9A
SCHEMBL2175485 0.83 SCN9A (0.39) DPP4DPP8DPP9OPRD1SCN9A
Hydrochloric Acid SCHEMBL7276844 0.82 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
Hydrochloric Acid SCHEMBL1631417 0.82 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
Hydrochloric Acid SCHEMBL7385109 0.82 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
Hydrochloric Acid SCHEMBL27505777 0.82 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100135960-A1 ANTIVIRAL ACYLSULFONAMIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-06-03 — — US disclosed
US-20100074863-A1 ANTI-INFECTIVE PYRROLIDINE DERIVATIVES AND ANALOGS ENANTA PHARMACEUTICALS, INC. 2010-03-25 — — US disclosed
US-20090326019-A1 3,4-BICYCLIC PYRROLIDINE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2009-12-31 — — US disclosed
US-20090233972-A1 SUBSTITUTED HETEROCYCLES AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. 2009-09-17 — — US disclosed
US-20090227600-A1 4-(PYRAZINE-2-YL) -PYRROLIDINE -2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS GLAXO GROUP LIMITED (GB) 2009-09-10 — — US disclosed
US-20090060874-A1 BICYCLIC PYRROLIDINE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-03-05 — — US disclosed
US-20090053175-A1 SUBSTITUTE PYRROLIDINE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-02-26 — — US disclosed
US-20090022689-A1 C4-SPIRO-PYRROLIDINE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2009-01-22 — — US disclosed
US-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. 2009-01-01 — — US disclosed
WO-2009003009-A1 SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. (US) 2008-12-31 — — WO disclosed
CN-101087785-A 4-Methoxymethyl-pyrrolidine-2-carboxylic acid compounds and derivatives thereof as hepatitis C virus inhibitors GLAXO GROUP LTD (GB) 2007-12-12 — — CN disclosed
US-20070270475-A1 4-Methoxy-Pyrrolidine-2-Carboxylic Acid Compounds and Derivatives Thereof as Hepatitis C Virus Inhibitors GLAXO GROUP LIMITED (GB) 2007-11-22 — — 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 (10 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-20090326019-A1 3,4-BICYCLIC PYRROLIDINE ANTIVIRALS ZC3HAV1, EIF2AK2, POLRMT DPP4 306/4885DPP8 972/4885DPP9 985/4885
US-20070270475-A1 4-Methoxy-Pyrrolidine-2-Carboxylic Acid Compounds and Derivatives Thereof as Hepatitis C Virus Inhibitors HAVCR2, BCKDK, ZC3HAV1L DPP4 588/4885DPP8 858/4885DPP9 622/4885
US-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES EIF2AK2, RNGTT, POLR2E DPP4 218/4885DPP8 963/4885DPP9 808/4885
US-20090022689-A1 C4-SPIRO-PYRROLIDINE ANTIVIRALS ZC3HAV1, HAVCR2, HCCS DPP4 384/4885DPP8 1387/4885DPP9 1490/4885
US-20090227600-A1 4-(PYRAZINE-2-YL) -PYRROLIDINE -2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, ZC3HAV1L DPP4 332/4885DPP8 911/4885DPP9 1078/4885
US-20090053175-A1 SUBSTITUTE PYRROLIDINE DERIVATIVES POLRMT, EIF2AK2, NSUN2 DPP4 886/4885DPP8 1587/4885DPP9 1251/4885
US-20100074863-A1 ANTI-INFECTIVE PYRROLIDINE DERIVATIVES AND ANALOGS ZC3HAV1, POLRMT, EIF2AK2 DPP4 528/4885DPP8 953/4885DPP9 730/4885
US-20090060874-A1 BICYCLIC PYRROLIDINE DERIVATIVES EIF2AK2, ZC3HAV1, POLRMT DPP4 766/4885DPP8 1064/4885DPP9 1123/4885
US-20090233972-A1 SUBSTITUTED HETEROCYCLES AS ANTI-INFECTIVES HAVCR2, EIF2AK2, HCCS DPP4 739/4885DPP8 1216/4885DPP9 1171/4885
US-20100135960-A1 ANTIVIRAL ACYLSULFONAMIDE DERIVATIVES EIF2AK2, NSUN3, ACSS2 DPP4 450/4885DPP8 738/4885DPP9 636/4885

“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.