SCHEMBL5115240

SCHEMBL5115240

Cc1cc(Oc2cccc3cc(C(=O)O)n(C)c23)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.45
MCL1 Q07820 6/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
PPARG P37231 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CCR2 P41597 1/20 0.38
SRD5A2 P31213 2/20 0.38
SRD5A1 P18405 1/20 0.36
GPR35 Q9HC97 1/20 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
SCHEMBL4049554 0.85 MCL1 (0.44) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL5117972 0.81 PPARG (0.44) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL5117910 0.80 LMNA (0.39) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL4048516 0.80 PPARG (0.46) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL3747639 0.79 KDM4E (0.60) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL5125532 0.78 PPARG (0.48) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL5124452 0.78 PPARG (0.40) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL5872500 0.78 GFER (0.40) GFERMCL1KDM4EALDH1A1HPGD
SCHEMBL5125257 0.77 SMN1; SMN2 (0.41) GFERMCL1KDM4EHPGDHSD17B10
SCHEMBL5111493 0.76 BRAF (0.51)

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-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US claimed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP claimed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO claimed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 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-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 GFER 2265/4885MCL1 1081/4885KDM4E 3493/4885

“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.