SCHEMBL6001780

SCHEMBL6001780

O=C(Cc1ccc(CC(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)cc1)Nc1cccc(S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
KCNJ6 P48051 1/20 0.57
KCNJ5 P48544 1/20 0.57
KCNJ3 P48549 1/20 0.57
NLRP3 Q96P20 6/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 2/20 0.54
POLB P06746 2/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
P2RX1 P51575 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
RXFP1 Q9HBX9 2/20 0.52
RORC P51449 1/20 0.49

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
SCHEMBL6001954 0.95 LMNA (0.53) LMNAKCNJ6KCNJ5KCNJ3NLRP3
SCHEMBL6001977 0.93 KMT2A (0.57) LMNAKCNJ6KCNJ5KCNJ3NLRP3
SCHEMBL6000260 0.89 SELP (0.55) LMNAKCNJ6KCNJ5KCNJ3NLRP3
SCHEMBL6000277 0.88 KCNJ5 (0.55) LMNAKCNJ6KCNJ5KCNJ3MEN1
SCHEMBL6001755 0.83 KCNJ5 (0.51) LMNAKCNJ6KCNJ5KCNJ3MEN1
SCHEMBL7208710 0.83 KMT2A (0.50) LMNAKCNJ6KCNJ5KCNJ3MEN1
SCHEMBL6000350 0.82 CA1 (0.61) MEN1KMT2AMAPTALDH1A1RORC
SCHEMBL4243028 0.81 SMN1; SMN2 (0.64) MEN1KMT2AMAPTP2RX1ALDH1A1
SCHEMBL6001084 0.81 PRMT1 (0.57) LMNAMEN1KMT2AMAPTPOLB
SCHEMBL19364353 0.80 L3MBTL1 (0.58) LMNAMEN1KMT2AMAPTP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP claimed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP claimed
US-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors SUGEN, INC. 2004-07-15 US claimed
US-6596772-B1 Relates to trifluoromethyl sulfonyl and trifluoromethyl sulfonamido compounds and the physiologically acceptable salts and the prodrugs thereof. These compounds are expected to modulate the activity of protein tyrosine enzymes which are SUGEN, INC. 2003-07-22 US claimed
JP-2003508382-A 2003-03-04 JP claimed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP claimed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 WO claimed
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP disclosed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP disclosed
US-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors SUGEN, INC. 2004-07-15 US disclosed
US-6596772-B1 Relates to trifluoromethyl sulfonyl and trifluoromethyl sulfonamido compounds and the physiologically acceptable salts and the prodrugs thereof. These compounds are expected to modulate the activity of protein tyrosine enzymes which are SUGEN, INC. 2003-07-22 US disclosed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 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 (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-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors PPP4C, PTPRO, PTPRS LMNA 4848/4885KCNJ6 3508/4885KCNJ5 3473/4885

“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.