SCHEMBL856638

SCHEMBL856638

CCCN(CCC)C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.52
CA9 Q16790 5/20 0.52
CA2 P00918 3/20 0.52
TSHR P16473 5/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
CA1 P00915 4/20 0.43
TP53 P04637 2/20 0.43
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
MLYCD O95822 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
P2RX1 P51575 1/20 0.33

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
SCHEMBL8059769 0.90 CA12 (0.52) CA12CA9CA2TSHRMAPK1
SCHEMBL11372659 0.90 CA12 (0.44) CA12CA9CA2TSHRMAPK1
SCHEMBL6566647 0.89
SCHEMBL11366170 0.84 CA12 (0.40) CA12CA9CA2TSHRMAPK1
SCHEMBL417141 0.83 CA12 (0.56) CA12CA9CA2TSHRALDH1A1
SCHEMBL11371387 0.82 CA12 (0.39) CA12CA9CA2TSHRMAPK1
SCHEMBL7380412 0.81 CA12 (0.48) CA12CA9CA2TSHRALDH1A1
SCHEMBL3900327 0.81 CA12 (0.41) CA12CA9CA2TSHRMAPK1
SCHEMBL14245075 0.79 CA12 (0.50) CA12CA9CA2TSHRALDH1A1
SCHEMBL11589764 0.79 CA12 (0.50) CA12CA9CA2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7118246-A None JP disclosed
CN-114478336-B Process for producing mercaptophenol compound and intermediate therefor 组合化学工业株式会社 2024-05-14 CN disclosed
EP-3760613-B1 METHOD FOR PRODUCING MERCAPTOPHENOL COMPOUND AND INTERMEDIATE OF SAID COMPOUND KUMIAI CHEMICAL INDUSTRY CO (JP) 2023-01-25 EP disclosed
CN-114478336-A Process for producing mercaptophenol compound and intermediate therefor 组合化学工业株式会社 2022-05-13 CN disclosed
CN-111918862-B Process for producing mercaptophenol compound and intermediate therefor 组合化学工业株式会社 2022-01-18 CN disclosed
EP-3760613-A1 METHOD FOR PRODUCING MERCAPTOPHENOL COMPOUND AND INTERMEDIATE OF SAID COMPOUND Kumiai Chemical Industry Co., Ltd. (JP) 2021-01-06 EP disclosed
US-10851052-B2 Method for producing mercaptophenol compound and intermediate of said compound KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-12-01 US disclosed
CN-111918862-A Process for producing mercaptophenol compound and intermediate therefor 组合化学工业株式会社 2020-11-10 CN disclosed
US-20200277257-A1 METHOD FOR PRODUCING MERCAPTOPHENOL COMPOUND AND INTERMEDIATE OF SAID COMPOUND KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-09-03 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-4156670-A UREAS AND THIOUREAS, HERBICIDES, ANIMAL GROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1979-05-29 US disclosed
US-4117153-A APHICIDES STAUFFER CHEMICAL COMPANY (US) 1978-09-26 US disclosed
US-4101571-A REACTING SULFAMIC ACIDS WITH PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 1978-07-18 US disclosed
US-4065293-A CARBAMOYLOXYPHENYL THIOCARBAMATES SCHERING AKTIENGESELLSCHAFT (DT) 1977-12-27 US disclosed
US-4053298-A HERBICIDAL COMPOSITIONS CONTAINING 1-THIADIAZOLYL-6-CARBAMOYLOXYTETRAHYDROPYRIMIDINONES AND METHODS THEREFOR VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 US disclosed
US-4036979-A ANIMAL GROWTH RATE ACCELERATOR AMERICAN CYANAMID COMPANY (US) 1977-07-19 US disclosed
US-4023957-A Herbicidal 1-thiadiazolyl-5-carbamoyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1977-05-17 US disclosed
US-4024128-A HYPOGLYCEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-05-17 US disclosed
US-3989710-A POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed
US-3951976-A 1-Thiadiazoly-6-carbamoyloxytetrahydropyrimidinones VELSICOL CHEMICAL CORPORATION (US) 1976-04-20 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 (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-20200277257-A1 METHOD FOR PRODUCING MERCAPTOPHENOL COMPOUND AND INTERMEDIATE OF SAID COMPOUND MGMT, MPST, TPMT CA12 229/4885CA9 146/4885CA2 402/4885
US-10851052-B2 Method for producing mercaptophenol compound and intermediate of said compound MGMT, MPST, TPMT CA12 229/4885CA9 146/4885CA2 402/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CA12 4791/4885CA9 4675/4885CA2 3958/4885

“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.