SCHEMBL4740644

SCHEMBL4740644

CSC(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.50
CYP2D6 P10635 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 2/20 0.44
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
AURKB Q96GD4 1/20 0.43
CTSD P07339 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL21687919 1.00 SRC (0.50) SRCCYP2D6NPC1RAB9AL3MBTL1
SCHEMBL21687922 1.00 SRC (0.50) SRCCYP2D6NPC1RAB9AL3MBTL1
SCHEMBL9756551 0.83 NPC1 (0.47) SRCCYP2D6NPC1RAB9AL3MBTL1
SCHEMBL1569023 0.83 NPC1 (0.51) CYP2D6NPC1RAB9AL3MBTL1LMNA
SCHEMBL11293770 0.83 ALDH1A1 (0.41) NPC1RAB9AL3MBTL1LMNAALDH1A1
SCHEMBL4828917 0.81 SRC (0.54) SRCCYP2D6L3MBTL1LMNAMAPK1
SCHEMBL14506219 0.81 SRC (0.54) SRCCYP2D6L3MBTL1LMNAMAPK1
SCHEMBL11299515 0.81 CYP2C9 (0.50) CYP2D6LMNAKMT2A
SCHEMBL11666756 0.81 RAB9A (0.40) NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8804842 0.81 L3MBTL1 (0.55) CYP2D6NPC1RAB9AL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874413-B Dispersing resin for cathode electrophoretic coating matched with film pretreatment and preparation method and application thereof 上海金力泰化工股份有限公司 2024-03-01 CN claimed
CN-114874413-A Dispersion resin for cathode electrophoretic coating matched with film pretreatment and preparation method and application thereof 上海金力泰化工股份有限公司 2022-08-09 CN claimed
CN-106700028-B A kind of cathode electrophoresis dope sulfosalt type dispersion resin and preparation method thereof 中海油常州涂料化工研究院有限公司 2019-03-22 CN claimed
CN-106700028-A Sulfonium salt type dispersion resin for cathodic electrophoretic paint and preparation method of sulfonium salt type dispersion resin 中海油常州涂料化工研究院有限公司 2017-05-24 CN claimed
CN-114874413-B Dispersing resin for cathode electrophoretic coating matched with film pretreatment and preparation method and application thereof 上海金力泰化工股份有限公司 2024-03-01 CN disclosed
EP-3826723-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2023-10-18 EP disclosed
CN-114874413-A Dispersion resin for cathode electrophoretic coating matched with film pretreatment and preparation method and application thereof 上海金力泰化工股份有限公司 2022-08-09 CN disclosed
US-20210317145-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2021-10-14 US disclosed
WO-2020020858-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2020-01-30 WO disclosed
CN-106700028-B A kind of cathode electrophoresis dope sulfosalt type dispersion resin and preparation method thereof 中海油常州涂料化工研究院有限公司 2019-03-22 CN disclosed
CN-106700028-A Sulfonium salt type dispersion resin for cathodic electrophoretic paint and preparation method of sulfonium salt type dispersion resin 中海油常州涂料化工研究院有限公司 2017-05-24 CN disclosed
US-20160257657-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2016-09-08 US disclosed
US-4564623-A HISTAMINE H2-ANTAGONISTS, ANTIULCER AGENTS SHIONOGI & CO., LTD. (JP) 1986-01-14 US disclosed
US-4482566-A ANTIULCER AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JP) 1984-11-13 US disclosed
EP-0023578-B1 AMINOALKYLBENZENE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SHIONOGI & CO., LTD. (JP) 1984-05-30 EP disclosed
US-4309433-A TREATMENT OF PEPTIC ULCERS SHIONOGI & CO., LTD. (JP) 1982-01-05 US disclosed
EP-0023578-A1 Aminoalkylbenzene derivatives, process for their preparation and pharmaceutical compositions SHIONOGI & CO., LTD. (JP) 1981-02-11 EP disclosed
US-4175185-A ESTERIFICATION, IMINOHALOGENATION, ETHERIFICATION, HYDROLYSIS, DEESTERIFICATION MEIJI SEIKA KAISHA LTD. (JP) 1979-11-20 US disclosed
US-3998816-A 7-[5-N-(n-Butoxyethoxy carbonyl and 2-chloroethoxy carbonyl)-amino] cephalosporins C MEIJI SEIKA KAISHA, LTD. (JA) 1976-12-21 US disclosed
US-3988326-A Process for N-acylation of 7 amino cephem compounds MEIJI SEIKA KAISHA, LTD. (JA) 1976-10-26 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 (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-20210317145-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 SRC 4349/4885CYP2D6 4498/4885NPC1 2682/4885
US-20160257657-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER AR, NR0B1, NCOA3 SRC 161/4885CYP2D6 857/4885NPC1 598/4885

“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.