SCHEMBL5453046

SCHEMBL5453046

CCC(=O)Nc1ccc(-c2cc(C(=O)OC)ccc2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
LMNA P02545 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 6/20 0.47
RAB9A P51151 5/20 0.47
HPGD P15428 3/20 0.47
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL5028483 0.90 MAPK14 (0.58) MAPK14KMT2AMEN1LMNAKDM4E
SCHEMBL5450623 0.87 KMT2A (0.54) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL5458586 0.86 KMT2A (0.52) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL23063977 0.83 KMT2A (0.72) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL8232324 0.82 ALDH1A1 (0.47) MAPK14KMT2AMEN1KDM4EMAPT
SCHEMBL5032072 0.82 PDGFRB (0.63) MAPK14KMT2AMEN1LMNAKDM4E
SCHEMBL5124801 0.82 ALDH1A1 (0.52) MAPK14KMT2AKDM4EMAPTALDH1A1
SCHEMBL8401925 0.81 KMT2A (0.79) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL5031481 0.81 TGM2 (0.50) MAPK14KMT2AMEN1LMNAMAPT
SCHEMBL5030644 0.80 SCN5A (0.50) MAPK14LMNAKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US claimed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US claimed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 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 (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-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses CCR1, CCR3, CXCR2 MAPK14 3571/4885KMT2A 2650/4885MEN1 4237/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 MAPK14 3571/4885KMT2A 2650/4885MEN1 4237/4885

“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.