SCHEMBL186800

SCHEMBL186800

CC(C)(C)N(Cc1cccc(CO)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 3/20 0.50
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.45
S1PR1 P21453 5/20 0.42
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL1163554 0.86 MEN1 (0.44) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL689321 0.86 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL356816 0.84 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL8773482 0.84 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL5343307 0.84 MEN1 (0.53) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL2694899 0.83 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL395409 0.83 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL67173 0.83 RIPK1 (0.56) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL6105484 0.82 MEN1 (0.48) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL6105491 0.82 MEN1 (0.48) MEN1KMT2AHTTL3MBTL1LMNA

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-8304446-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-11-06 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
EP-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
EP-1408962-B1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-15 EP disclosed
EP-1408962-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-04-21 EP disclosed
WO-2003007942-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-01-30 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-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists CCR4, CCR3, CCR1 MEN1 4632/4885KMT2A 4136/4885HTT 4548/4885
US-20100216860-A1 NOVEL COMPOUNDS CYP3A4, CYP3A43, ABCG2 MEN1 2172/4885KMT2A 4470/4885HTT 1008/4885

“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.