SCHEMBL4180614

SCHEMBL4180614

CC(C)C[C@H](NC(=O)c1ccco1)C(=O)NCC1CN(S(=O)(=O)c2ccc(Cl)cc2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
GAA P10253 1/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
PKM P14618 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
SCHEMBL4178078 0.89 CTSL (0.41) KMT2AMEN1TSHRALDH1A1CTSL
SCHEMBL4183297 0.88 CCR1 (0.50) KMT2AMEN1ALDH1A1CTSLCTSS
SCHEMBL4182029 0.88 KMT2A (0.47) KMT2AMEN1GAATSHRALDH1A1
SCHEMBL4186154 0.83 CTSS (0.42) ALDH1A1CTSLCTSSCTSKUTS2R
SCHEMBL5488368 0.82 CTSL (0.43) KMT2AMEN1GAATSHRALDH1A1
SCHEMBL4178416 0.82 UTS2R (0.51) KMT2AMEN1CTSSCTSKUTS2R
SCHEMBL5487944 0.81 KMT2A (0.48) KMT2AMEN1GAATSHRALDH1A1
SCHEMBL4178660 0.80 SMN1; SMN2 (0.40) KMT2AMEN1GAATSHRALDH1A1
SCHEMBL4191798 0.79 CCR1 (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL4183423 0.78 KMT2A (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US claimed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP claimed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO claimed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP disclosed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 KMT2A 3870/4885MEN1 3090/4885GAA 4234/4885

“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.