SCHEMBL630171

SCHEMBL630171

COc1ccc(C[C@H](N)C(=O)NC2CCOCC2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.47
HPGDS O60760 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
SMYD3 Q9H7B4 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CTSD P07339 2/20 0.41
HDAC8 Q9BY41 1/20 0.39
CNR2 P34972 2/20 0.39
OPRK1 P41145 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL631368 0.83 EPHX2 (0.48) HPGDSKMT2AALDH1A1HPGDNPC1
SCHEMBL5170058 0.78 HPGDS (0.46) HPGDSMEN1KMT2AALDH1A1SMYD3
SCHEMBL20397701 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL630028 0.76 CTSD (0.59) MEN1KMT2AALDH1A1CTSD
SCHEMBL7302384 0.74 HTT (0.46) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL631342 0.74 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL13162029 0.74 HPGDS (0.57) HPGDSMEN1KMT2AALDH1A1HPGD
SCHEMBL29798407 0.74 HPGDS (0.57) HPGDSMEN1KMT2AALDH1A1HPGD
SCHEMBL630945 0.73 ACACB (0.47) HPGDSCTSD
SCHEMBL13163162 0.72 HPGDS (0.57) HPGDSMEN1KMT2AALDH1A1HPGD

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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US claimed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US claimed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 SOS1 4318/4885HPGDS 2977/4885MEN1 4809/4885

“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.