SCHEMBL677603

SCHEMBL677603

Cc1ccc(C(=O)c2c(C)nn(C)c2O)c(S(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.38
TSHR P16473 1/20 0.34
GCK P35557 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
POLB P06746 2/20 0.32
NR2F2 P24468 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.30
ACLY P53396 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
BAZ2B Q9UIF8 1/20 0.30
BAZ2A Q9UIF9 1/20 0.30
SLC9A1 P19634 1/20 0.30
LMNA P02545 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
SCHEMBL27934056 0.90 AR (0.36) SPRMAPTPOLBNR2F2HTT
SCHEMBL28647649 0.88 HTT (0.42) KDM4EMAPTNR2F2HTTSMN1; SMN2
SCHEMBL12770861 0.84 FPR1 (0.38) KDM4EMAPTPOLBHTTSMN1; SMN2
SCHEMBL5077281 0.83 CACNA1B (0.41) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5080803 0.83 CACNA1B (0.41) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10035229 0.83 KDM4E (0.31) SPRKDM4EMAPTPOLBNR2F2
SCHEMBL10753321 0.82 F2 (0.42) SPRTSHRKDM4EMAPTPOLB
SCHEMBL28653745 0.81 MAPT (0.34) KDM4EMAPTNR2F2HTTSMN1; SMN2
SCHEMBL28662642 0.80 MAPT (0.33) KDM4EMAPTNR2F2HTTSMN1; SMN2
SCHEMBL2747608 0.80 CDK8 (0.32) KDM4EMAPTHTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157290-A1 ALKENE-CONTAINING CARBOXYLATE COMPOUND AND USE THEREOF JIANGSU YANGNONG CHEMICAL CO., LTD (CN) 2023-05-25 US disclosed
US-20180213785-A1 HERBICIDAL COMBINATIONS FOR TOLERANT SOYBEAN CULTURES BASF SE (DE) 2018-08-02 US disclosed
US-9974306-B2 Herbicidal combinations for tolerant soybean cultures BAYER CROPSCIENCE AG (DE) 2018-05-22 US disclosed
US-20150272121-A1 HERBICIDAL COMBINATIONS FOR TOLERANT SOYBEAN CULTURES BASF SE (DE) 2015-10-01 US disclosed
US-20140024531-A1 Novel Herbicides Based on Substituted Thien-3-yl-Sulphonylamino(thio)Carbonyl-Triazolin(thi)ones and 4-HPPD-Inhibitors BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-01-23 US disclosed
US-8053393-B2 Aqueous herbicidal composition based on a suspension concentrate comprising herbicides and safeners BAYER CROPSCIENCE AG (DE) 2011-11-08 US disclosed
US-20110077157-A1 Oil Suspension Concentrate BAYER CROPSCIENCE AG (DE) 2011-03-31 US disclosed
US-20080167188-A1 Herbicide Combinations Comprising Special Ketoenoles BAYER CROPSCIENCE AG (DE) 2008-07-10 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 (6 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-20140024531-A1 Novel Herbicides Based on Substituted Thien-3-yl-Sulphonylamino(thio)Carbonyl-Triazolin(thi)ones and 4-HPPD-Inhibitors HPD, DDT, TH SPR 98/4885TSHR 412/4885GCK 226/4885
US-20180213785-A1 HERBICIDAL COMBINATIONS FOR TOLERANT SOYBEAN CULTURES DDT, GSTM2, GSTO1 SPR 757/4885TSHR 2611/4885GCK 517/4885
US-20110077157-A1 Oil Suspension Concentrate PFAS, PNPO, PLPBP SPR 1213/4885TSHR 2452/4885GCK 2911/4885
US-20080167188-A1 Herbicide Combinations Comprising Special Ketoenoles DDT, NOTUM, CA3 SPR 2030/4885TSHR 2956/4885GCK 383/4885
US-20150272121-A1 HERBICIDAL COMBINATIONS FOR TOLERANT SOYBEAN CULTURES DDT, GSTM2, GSTO1 SPR 757/4885TSHR 2611/4885GCK 517/4885
US-20230157290-A1 ALKENE-CONTAINING CARBOXYLATE COMPOUND AND USE THEREOF DDT, ALK, ACMSD SPR 3625/4885TSHR 2268/4885GCK 418/4885

“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.