SCHEMBL753971

SCHEMBL753971

COc1[c]c(C(F)(F)F)ccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NFE2L2 Q16236 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 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
SCHEMBL4633271 0.81 KDM4E (0.31) SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL1064154 0.79
SCHEMBL7772355 0.79 L3MBTL1 (0.36) KDM4EALDH1A1MAPK1
SCHEMBL262125 0.77 TSHR (0.36) TSHRALDH1A1MAPK1
SCHEMBL57641 0.77 ALDH1A1 (0.41) ACHETSHRSMN1; SMN2CYP1A2CYP2C9
SCHEMBL1068130 0.76 MEN1 (0.31) SMN1; SMN2
SCHEMBL1067735 0.75 NPC1 (0.32) ACHESMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL17046264 0.75 SMN1; SMN2 (0.33) ACHETSHRSMN1; SMN2CYP1A2CYP2C9
SCHEMBL15353087 0.73 SLC6A2 (0.32)
SCHEMBL160707 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192801-A1 SULFONAMIDO DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-10-05 WO claimed
CN-113164459-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
US-5883044-A Herbicidal method utilizing phosphosulfonate herbicides and oxime ether safeners ROHM AND HAAS COMPANY (US) 1999-03-16 US claimed
EP-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP claimed
US-5693590-A PLANT GROWTH REGULATOR ROHM AND HAAS COMPANY (US) 1997-12-02 US claimed
EP-0511826-B1 Phosphosulfonate herbicides ROHM & HAAS (US) 1997-07-16 EP claimed
EP-0699390-A2 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM AND HAAS COMPANY (US) 1996-03-06 EP claimed
EP-0511826-A2 Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1992-11-04 EP claimed
WO-2023192801-A1 SULFONAMIDO DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
US-20230303509-A1 SULFONAMIDO DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. 2023-09-28 US disclosed
CN-113164459-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-10077254-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-09-18 US disclosed
EP-3059233-B1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME SUMITOMO CHEMICAL CO (JP) 2017-12-20 EP disclosed
US-5693590-A PLANT GROWTH REGULATOR ROHM AND HAAS COMPANY (US) 1997-12-02 US disclosed
EP-0511826-B1 Phosphosulfonate herbicides ROHM & HAAS (US) 1997-07-16 EP disclosed
US-5500405-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1996-03-19 US disclosed
EP-0699390-A2 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM AND HAAS COMPANY (US) 1996-03-06 EP disclosed
US-5272128-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1993-12-21 US disclosed
EP-0511826-A2 Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1992-11-04 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 (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-10077254-B2 Tetrazolinone compound and use thereof MT-CO1, UQCRB, MT-CO2 ACHE 866/4885TSHR 376/4885SMN1; SMN2 1886/4885
US-20230303509-A1 SULFONAMIDO DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS CDK2, CCNK, CCNI ACHE 4844/4885TSHR 3290/4885SMN1; SMN2 1215/4885

“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.