SCHEMBL5226592

SCHEMBL5226592

C=CCSc1ncccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
CYP2C9 P11712 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
GAA P10253 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
TP53 P04637 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
HSP90AA1 P07900 1/20 0.50

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
SCHEMBL9501471 0.82 L3MBTL1 (0.64) ALDH1A1CYP2C9SMN1; SMN2NPC1RAB9A
SCHEMBL13452948 0.82 CYP2C9 (0.70) ALDH1A1CYP2C9SMN1; SMN2NPC1RAB9A
SCHEMBL146157 0.79 ALDH1A1 (0.62) ALDH1A1CYP2C9SMN1; SMN2NPC1RAB9A
SCHEMBL4773044 0.79 ALDH1A1 (0.67) ALDH1A1CYP2C9SMN1; SMN2NPC1RAB9A
SCHEMBL11504619 0.78 ALDH1A1 (0.60) ALDH1A1CYP2C9SMN1; SMN2NPC1RAB9A
SCHEMBL8371363 0.76 ALDH1A1 (0.58) ALDH1A1CYP2C9SMN1; SMN2NPC1RAB9A
SCHEMBL8370248 0.76 ALDH1A1 (0.58) ALDH1A1CYP2C9SMN1; SMN2NPC1RAB9A
SCHEMBL10827980 0.76 SMN1; SMN2 (0.70) ALDH1A1CYP2C9SMN1; SMN2NPC1RAB9A
SCHEMBL3579609 0.76 SMN1; SMN2 (0.70) ALDH1A1CYP2C9SMN1; SMN2NPC1RAB9A
SCHEMBL3594763 0.76 ALDH1A1 (1.00) ALDH1A1CYP2C9SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117418245-A Method for preparing hydroxylamine aqueous solution by using hydroxylamine salt 浙江锦华新材料股份有限公司 2024-01-19 CN claimed
CN-217628017-U Heavy metal Ni (II) adsorption and COD oxidation removing device in industrial wastewater 江苏环球环境工程集团有限公司 2022-10-21 CN claimed
CN-115010845-A Magnetic thallium ion imprinted polymer and preparation method and application thereof 昆明理工大学 2022-09-06 CN claimed
CN-108387632-B Eu (Eu)3+Selective quantitative detection method 云南大学 2020-03-31 CN claimed
US-10435310-B2 Process for separate removal and recovery of heavy metals from industrial wastewater NANCHANG HANGKONG UNIVERSITY (CN) 2019-10-08 US claimed
CN-108559024-A A kind of palladium ion imprinted polymer and its preparation method and application 北京大学深圳研究生院 2018-09-21 CN claimed
CN-117418245-A Method for preparing hydroxylamine aqueous solution by using hydroxylamine salt 浙江锦华新材料股份有限公司 2024-01-19 CN disclosed
CN-116288179-A TiSiBAgYN coating resistant to high-temperature lubrication 纳狮新材料有限公司杭州分公司 2023-06-23 CN disclosed
CN-116288179-A TiSiBAgYN coating resistant to high-temperature lubrication 纳狮新材料有限公司杭州分公司 2023-06-23 CN disclosed
CN-217628017-U Heavy metal Ni (II) adsorption and COD oxidation removing device in industrial wastewater 江苏环球环境工程集团有限公司 2022-10-21 CN disclosed
US-10711027-B2 DNA polymerase beta inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2020-07-14 US disclosed
CN-108982620-B Method for rapidly determining residual content of benalaxyl in tobacco 云南省烟草质量监督检测站 2020-06-02 CN disclosed
CN-108387632-B Eu (Eu)3+Selective quantitative detection method 云南大学 2020-03-31 CN disclosed
CN-108559024-A A kind of palladium ion imprinted polymer and its preparation method and application 北京大学深圳研究生院 2018-09-21 CN disclosed
US-20180050931-A1 PROCESS FOR SEPARATE REMOVAL AND RECOVERY OF HEAVY METALS FROM INDUSTRIAL WASTEWATER NANCHANG HANGKONG UNIVERSITY (CN) 2018-02-22 US disclosed
EP-1581528-B1 PIPERIDINYL-THIAZOLE CARBOXYLIC ACID DERIVATIVES AS ANGIOGENESIS INHIBITORS METRIS THERAPEUTICS LTD (GB) 2007-08-01 EP disclosed
US-20060135501-A1 Piperidinyl-thiazole carboxylic acid derivatives as angiogenesis inhibitors DSPI LIMITED (GB) 2006-06-22 US disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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 (2 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-10711027-B2 DNA polymerase beta inhibitors POLB, POLH, POLN ALDH1A1 908/4885CYP2C9 2347/4885SMN1; SMN2 3777/4885
US-20060135501-A1 Piperidinyl-thiazole carboxylic acid derivatives as angiogenesis inhibitors PGF, FLT1, VEGFA ALDH1A1 101/4885CYP2C9 3544/4885SMN1; SMN2 4186/4885

“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.