SCHEMBL5518871

SCHEMBL5518871

CC(OS(C)(=O)=O)C(C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ VDR P11473 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAP2K7 O14733 1/20 0.37
▸ GMNN O75496 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL18073625 0.74 TDP1 (0.53) TDP1CASP3LMNAALDH1A1KMT2A
SCHEMBL20022621 0.74 TDP1 (0.53) TDP1CASP3LMNAALDH1A1KMT2A
SCHEMBL5514761 0.72 TDP1 (0.53) TDP1CASP3LMNAALDH1A1KDM4E
SCHEMBL10391190 0.72 KMT2A (0.43) CASP3ALDH1A1KMT2AMAPTHPGD
SCHEMBL5514759 0.72 TDP1 (0.53) TDP1CASP3LMNAALDH1A1KDM4E
SCHEMBL15081352 0.71 TDP1 (0.50) TDP1CASP3LMNAALDH1A1KMT2A
SCHEMBL5524122 0.71 LMNA (0.53) TDP1CASP3LMNAALDH1A1KMT2A
SCHEMBL30630014 0.70 ALDH1A1 (0.48) CASP3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21070623 0.70 ALDH1A1 (0.48) CASP3ALDH1A1MAPTHPGDRAB9A
SCHEMBL166122 0.69 TDP1 (0.57) TDP1CASP3LMNAALDH1A1KMT2A

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-7205331-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2007-04-17 — — US disclosed
US-7135585-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2006-11-14 — — US disclosed
US-20060178425-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-08-10 — — US disclosed
US-20060025472-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-02-02 — — US disclosed
US-6642392-B1 Pyrrole derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-11-04 — — US disclosed
US-6251947-B1 CERTAIN N-(ARYLPROPYL), N-(ARYLOXYETHYL), AND N-(ARYLALLYL)-CARBOXAMIDES, THEIR AGRICULTURALLY SUITABLE SALTS USED AS FUNGICIDE TO CONTROL PLANT DISEASE BY APPLYING AN EFFECTIVE AMOUNT ON THE PLANT BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2001-06-26 — — US disclosed
WO-1998033765-A1 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-06 — — WO 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-20060178425-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 TDP1 877/4885CASP3 82/4885LMNA 1695/4885
US-20060025472-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 TDP1 954/4885CASP3 176/4885LMNA 2087/4885

“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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