Sugi Predict

Sugi Predict / Compounds / SCHEMBL204841

SCHEMBL204841

SCHEMBL204841

CC(C)(C)OC(=O)N1CC(C#N)CC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ CTSK P43235 2/20 0.37
▸ AR P10275 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HTRA1 Q92743 1/20 0.34
▸ USP2 O75604 1/20 0.34

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
SCHEMBL2707931 1.00 HSD17B10 (0.39) HSD17B10CTSKARNR1H2MEN1
SCHEMBL2708021 1.00 HSD17B10 (0.39) HSD17B10CTSKARNR1H2MEN1
SCHEMBL9637135 1.00 HSD17B10 (0.39) HSD17B10CTSKARNR1H2MEN1
SCHEMBL1269658 1.00 HSD17B10 (0.39) HSD17B10CTSKARNR1H2MEN1
SCHEMBL206212 1.00 HSD17B10 (0.39) HSD17B10CTSKARNR1H2MEN1
SCHEMBL23730559 1.00 HSD17B10 (0.39) HSD17B10CTSKARNR1H2MEN1
SCHEMBL8606692 0.88 CTSK (0.37) HSD17B10CTSKARNR1H2MEN1
SCHEMBL8610329 0.88 CTSK (0.37) HSD17B10CTSKARNR1H2MEN1
SCHEMBL1485510 0.87 DPP4 (0.37) HSD17B10CTSKARNR1H2MEN1
SCHEMBL203241 0.86 MMP2 (0.39) CTSKARNR1H2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327392-A1 HETEROCYCLOALKYL-SUBSTITUTED POLYHETEROAZOLE DERIVATIVES AS MEDICAMENTS FOR TREATING AND/OR PREVENTING RS VIRUS INFECTIONS ALBIUS SCIENCES ALPHA PRIVATE LIMITED (SG) 2024-10-03 — — US disclosed
EP-4361148-A1 HETEROCYCLOALKYL-SUBSTITUTED POLYHETEROAZOLE DERIVATIVE AS MEDICAL DRUG FOR TREATMENT AND/OR PREVENTION OF RS VIRUS INFECTIOUS DISEASE Albius Sciences Alpha Private Limited (SG) 2024-05-01 — — EP disclosed
CN-117730079-A Heterocyclyl-substituted polyheterazoles derivatives as medicaments for the treatment and/or prophylaxis of RSV infections 亚博思生物科技(第一)有限公司 2024-03-19 — — CN disclosed
CN-116332905-A (S) -N-phenyl-1- (pyridin-2-yl) pyrrolidine-2-carboxamide derivatives 上海翊石医药科技有限公司 2023-06-27 — — CN disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 — — US disclosed
EP-4125914-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2023-02-08 — — EP disclosed
WO-2022270628-A1 HETEROCYCLOALKYL-SUBSTITUTED POLYHETEROAZOLE DERIVATIVE AS MEDICAL DRUG FOR TREATMENT AND/OR PREVENTION OF RS VIRUS INFECTIOUS DISEASE 国立大学法人 大分大学 2022-12-29 — — WO disclosed
WO-2021202977-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-10-07 — — WO disclosed
CN-106588890-B Antiviral compounds 吉利德制药有限责任公司 2020-11-27 — — CN disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 — — EP disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 — — EP disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 — — EP disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 — — WO disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 — — WO disclosed
EP-2041138-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-01 — — EP disclosed
US-7348346-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-03-25 — — US disclosed
WO-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 — — WO disclosed
US-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-22 — — 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 (4 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-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS C5, C9, C1QBP HSD17B10 4251/4885CTSK 1519/4885AR 4642/4885
US-20240327392-A1 HETEROCYCLOALKYL-SUBSTITUTED POLYHETEROAZOLE DERIVATIVES AS MEDICAMENTS FOR TREATING AND/OR PREVENTING RS VIRUS INFECTIONS RSU1, TSLP, HAVCR2 HSD17B10 2822/4885CTSK 1367/4885AR 3110/4885
US-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 HSD17B10 411/4885CTSK 803/4885AR 4100/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HSD17B10 3314/4885CTSK 1314/4885AR 4666/4885

“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.