SCHEMBL3044709

SCHEMBL3044709

CS(=O)(=O)c1ccc(N=C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
TSHR P16473 1/20 0.48
ENPP2 Q13822 2/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TRPA1 O75762 1/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 3/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL278353 0.82 CYP3A4 (0.52) CYP3A4TSHRCA1CA2TRPA1
SCHEMBL7180551 0.82 CYP3A4 (0.52) CYP3A4TSHRCA1CA2TRPA1
SCHEMBL2891113 0.81 CA1 (0.66) CYP3A4ENPP2CA1CA2TDP1
SCHEMBL10451648 0.79 CYP3A4 (0.50) CYP3A4TSHRCA1CA2TRPA1
SCHEMBL2278953 0.78 POLB (0.53) CYP3A4TSHRCA1CA2TRPA1
SCHEMBL242025 0.78 CA2 (0.68) CYP3A4TSHRCA1CA2TDP1
SCHEMBL31148855 0.78 CYP3A4 (0.48) CYP3A4TSHRCA1CA2TRPA1
SCHEMBL165024 0.78 CYP3A4 (0.48) CYP3A4TSHRCA1CA2TRPA1
SCHEMBL10348147 0.78 CYP3A4 (0.48) CYP3A4TSHRCA1CA2TRPA1
SCHEMBL15430 0.78 CYP3A4 (0.70) CYP3A4TSHRCA1CA2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214138-A Phenylpropionic acid derivative, preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2021-08-06 CN disclosed
US-10723698-B2 Inhibitors of PRMT5 and methods of their use THE OHIO STATE UNIVERSITY (US) 2020-07-28 US disclosed
US-20190270707-A1 INHIBITORS OF PRMT5 AND METHODS OF THEIR USE THE OHIO STATE UNIVERSITY 2019-09-05 US disclosed
WO-2017024996-A1 HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF 江苏恒瑞医药股份有限公司 2017-02-16 WO disclosed
EP-2694515-B1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC (CA) 2016-08-17 EP disclosed
EP-2694515-B1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC (CA) 2016-08-17 EP disclosed
US-9284318-B2 Protein kinase inhibitors PHARMASCIENCE, INC. (CA) 2016-03-15 US disclosed
EP-2210880-B1 Benzoxazinone derivatives MSD KK (JP) 2015-08-26 EP disclosed
US-20150210696-A1 PROTEIN KINASE INHIBITORS GB005, INC. 2015-07-30 US disclosed
US-20150210696-A1 PROTEIN KINASE INHIBITORS GB005, INC. 2015-07-30 US disclosed
EP-0307176-A2 Erythromycin derivatives BEECHAM GROUP PLC (GB) 1989-03-15 EP disclosed
EP-0284203-A2 Erythromycin derivatives, process for their preparation and their pharmaceutical use BEECHAM GROUP PLC (GB) 1988-09-28 EP disclosed
US-4663341-A Insecticidal n-aryl-3-aryl-4,5-dihydro-1h-pyrazole-1-carboxamides ROHM AND HAAS COMPANY (US) 1987-05-05 US disclosed
CN-85101497-A Process for the preparation of N-aryl-3-aryl-4, 5-dihydro-1H-pyrazole-1-carboxamides 1986-07-16 CN disclosed
EP-0153127-A2 N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides, processes for their production, insecticidal compositions containing them and methods for combatting insects ROHM AND HAAS COMPANY (US) 1985-08-28 EP disclosed
US-4140860-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-20 US disclosed
US-4119668-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1978-10-10 US disclosed
US-4085144-A ANTIBACTERIAL STERLING DRUG INC. (US) 1978-04-18 US disclosed
US-4022833-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1977-05-10 US disclosed
US-3961061-A INSECTICIDES, FUNGICIDES, BACTERICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 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-20150210696-A1 PROTEIN KINASE INHIBITORS PDGFRA, PDGFRB, KDR CYP3A4 4712/4885TSHR 3110/4885ENPP2 948/4885
US-20190270707-A1 INHIBITORS OF PRMT5 AND METHODS OF THEIR USE PRMT5, PRMT1, PRMT3 CYP3A4 3733/4885TSHR 2722/4885ENPP2 2250/4885
US-10723698-B2 Inhibitors of PRMT5 and methods of their use PRMT5, PRMT1, PRMT3 CYP3A4 3733/4885TSHR 2722/4885ENPP2 2250/4885

“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.