SCHEMBL492469

SCHEMBL492469

Cc1ccc(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(c4ccc(F)cc4)N(C)C)CC3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 3/20 0.38
TSHR P16473 2/20 0.37
PKM P14618 1/20 0.37
TRPA1 O75762 1/20 0.37
LSS P48449 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL493451 0.97 KMT2A (0.45) KMT2ATP53ALDH1A1MEN1CYP3A4
SCHEMBL492911 0.93 KMT2A (0.42) KMT2AALDH1A1MEN1SMN1; SMN2TSHR
SCHEMBL492470 0.93 KMT2A (0.42) KMT2AALDH1A1MEN1SMN1; SMN2TSHR
SCHEMBL492609 0.93 ALDH1A1 (0.48) KMT2AALDH1A1MEN1SMN1; SMN2TSHR
SCHEMBL493390 0.93 ALDH1A1 (0.46) KMT2AALDH1A1MEN1SMN1; SMN2TSHR
SCHEMBL492878 0.92 KMT2A (0.42) KMT2ATP53ALDH1A1MEN1SMN1; SMN2
SCHEMBL492719 0.92 MEN1 (0.41) KMT2AALDH1A1MEN1SMN1; SMN2CYP3A4
SCHEMBL494257 0.92 KMT2A (0.42) KMT2AALDH1A1MEN1SMN1; SMN2CYP3A4
SCHEMBL493423 0.91 CCL5 (0.38) KMT2ATP53ALDH1A1MEN1CYP3A4
SCHEMBL493775 0.89 EPHX2 (0.42) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD KMT2A 1749/4885TP53 4136/4885ALDH1A1 1349/4885

“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.