SCHEMBL6318323

SCHEMBL6318323

Cc1[nH]c2ccc(C(=O)NS(=O)(=O)c3ccc(Br)s3)cc2c1Cc1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
PTGS2 P35354 1/20 0.39
TP53 P04637 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MCL1 Q07820 5/20 0.36
SCN9A Q15858 1/20 0.35
BCL2L1 Q07817 4/20 0.35
PTPN5 P54829 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL6318645 0.92 MAPT (0.45) MAPTPTGS2TP53HDAC3HDAC4
SCHEMBL6318799 0.90 MAPT (0.41) MAPTPTGS2TP53HDAC1HDAC8
SCHEMBL6320869 0.90 MAPT (0.41) MAPTPTGS2TP53HDAC3HDAC4
SCHEMBL5881622 0.87 MAPT (0.46) MAPTPTGS2HDAC3HDAC4HDAC1
SCHEMBL6320213 0.86 SCN5A (0.39) MAPTPTGS2TP53HDAC3HDAC4
SCHEMBL5881759 0.85 PTGS2 (0.46) MAPTPTGS2HDAC3HDAC4HDAC1
SCHEMBL6320284 0.83 MAPT (0.40) MAPTTP53HDAC3HDAC4HDAC1
SCHEMBL5882187 0.83 MAPT (0.41) MAPTPTGS2TP53HDAC3HDAC4
SCHEMBL5881771 0.82 FLT1 (0.51) MAPTPTGS2HDAC3HDAC4HDAC1
SCHEMBL5881987 0.81 MAPT (0.42) MAPTPTGS2TP53HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171185-A1 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD., A JAPANESE CORPORATION 2005-08-04 US claimed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP claimed
US-6949578-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-09-27 US disclosed
US-20050171185-A1 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD., A JAPANESE CORPORATION 2005-08-04 US disclosed
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-6900232-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-05-31 US disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040259869-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2004-12-23 US disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
US-20040043988-A1 Cycloalkyl alkanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-03-04 US disclosed
EP-1289960-A2 CYCLOALKYL ALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-06-20 US disclosed
WO-2001096307-A2 CYCLOALKYL ALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO disclosed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 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 (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-20040043988-A1 Cycloalkyl alkanoic acids as intergrin receptor antagonists ADGRE5, ITGA5, ADGRF1 MAPT 4741/4885PTGS2 1801/4885TP53 4651/4885
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 MAPT 4499/4885PTGS2 3070/4885TP53 4451/4885
US-20040259869-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists ITGA5, ITGB5, ITGB3 MAPT 4647/4885PTGS2 2597/4885TP53 4388/4885
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists ITGA5, ITGB5, ITGB3 MAPT 4647/4885PTGS2 2597/4885TP53 4388/4885
US-20050171185-A1 Indole derivatives PDE5A, IGFBP5, HTR5A MAPT 3941/4885PTGS2 2111/4885TP53 4877/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 MAPT 3817/4885PTGS2 2578/4885TP53 915/4885

“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.