SCHEMBL733523

SCHEMBL733523

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL1439238 1.00 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL30771497 1.00 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL10201896 0.85 SMN1; SMN2 (0.35) SMN1; SMN2CA14CA12
SCHEMBL8591641 0.83 CA12 (0.43) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL1531190 0.81 SMN1; SMN2 (0.40) SMN1; SMN2CA14CA12TSHR
SCHEMBL14405592 0.80 CA1 (0.35) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL4607095 0.80 CA1 (0.35) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL4607090 0.80 CA1 (0.35) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL1279107 0.79 ALDH1A1 (0.37) TSHR
SCHEMBL7955435 0.79 CA12 (0.32) SMN1; SMN2CA14CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105753806-A Heterogeneous synthetic method and application of Ritonavir intermediate 厦门市蔚嘉化学科技有限公司 2016-07-13 CN claimed
US-20240158415-A1 AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL INC (US) 2024-05-16 US disclosed
CN-113286792-B N-chromen-4-one containing derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-12-05 CN disclosed
EP-3894402-B1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2023-07-05 EP disclosed
US-11667651-B2 Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2023-06-06 US disclosed
US-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US disclosed
WO-2022030589-A1 LIGAND CONTAINING MONODENTATE COORDINATION UREA COMPOUND, AND BORYLATION CATALYST CONTAINING SAME 国立大学法人北海道大学 2022-02-10 WO disclosed
CN-113286792-A N-containing chromen-4-one derivatives for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2021-08-20 CN disclosed
CN-112020500-A Aminopyridine derivatives as inhibitors of phosphatidylinositol phosphokinase 拉文纳制药公司 2020-12-01 CN disclosed
EP-3696171-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-19 EP disclosed
CN-1267291-A Novel farnesyl protein transferase inhibitors of N-substituted ureas SCHERING CORP (US) 2000-09-20 CN disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
WO-1998046615-A1 METALLOCENE AMINO ACID AND PEPTIDE COMPLEXES TARGOR GMBH (DE) 1998-10-22 WO disclosed
US-5807870-A SIDE EFFECT REDUCTION BIOMEGA BOEHRINGER INGELHEIM RESEARCH LTD. (CA) 1998-09-15 US disclosed
US-5614533-A Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH, INC. (CA) 1997-03-25 US disclosed
EP-0560268-B1 Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-01-04 EP disclosed
CN-1096293-A Replacement pipecolinic acid derivative as the hiv protease inhibitor BIO MEGA BOEHRINGER INGELHEIM (CA) 1994-12-14 CN disclosed
WO-1993018003-A1 SUBSTITUED PIPECOLINIC ACID DERIVATIVES AS HIV PROTEASE INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO disclosed
EP-0560268-A1 Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP 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 (3 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-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR0B1, CYP7A1 SMN1; SMN2 2216/4885CA14 1974/4885CA12 2723/4885
US-20240158415-A1 AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1B, PIP5K1A, PIP5K1C SMN1; SMN2 2821/4885CA14 4858/4885CA12 4875/4885
US-11667651-B2 Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1B, PIP5K1A, PIP5K1C SMN1; SMN2 2439/4885CA14 4841/4885CA12 4867/4885

“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.