SCHEMBL1828328

SCHEMBL1828328

CCSc1cccc2c1C(=O)OC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 2/20 0.41
▸ SOAT1 P35610 2/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAP2K7 O14733 1/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ TYMS P04818 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ GABRG2 P18507 4/20 0.35

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
SCHEMBL11391072 0.86 SOAT1 (0.44) S100A4SOAT1ALOX15TDP1TYMS
SCHEMBL15119608 0.82 TYMS (0.43) S100A4SOAT1ALOX15TDP1MAP2K7
SCHEMBL11387500 0.79 ALOX15 (0.44) S100A4SOAT1ALOX15TDP1MAP2K7
SCHEMBL6365511 0.79 S100A4 (0.47) S100A4SOAT1ALOX15TDP1MAP2K7
SCHEMBL6910829 0.79 TDP1 (0.48) ALOX15TDP1TYMSALDH1A1TSHR
SCHEMBL301317 0.79 TDP1 (0.48) ALOX15TDP1TYMSALDH1A1TSHR
SCHEMBL11383536 0.75 GABRG2 (0.37) S100A4SOAT1ALOX15MAP2K7CDC25A
SCHEMBL11385053 0.75 GABRG2 (0.35) S100A4SOAT1MAP2K7CDC25ACDC25B
SCHEMBL21111964 0.74 KDM4E (0.44) S100A4SOAT1TDP1MAP2K7CDC25A
SCHEMBL1826217 0.73 ALOX15 (0.46) ALOX15TDP1TYMSALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 — — US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 — — US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 — — US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 — — EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 — — WO disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 — — WO disclosed
US-4250007-A Photocurable acrylic phosphate esters of epoxidized polybutadiene UBE INDUSTRIES, LTD. (JP) 1981-02-10 — — 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 (1 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 S100A4 4442/4885SOAT1 1952/4885ALOX15 3948/4885

“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.

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