SCHEMBL2987608

SCHEMBL2987608

CC(=O)c1ccc(CC(N)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
ATM Q13315 1/20 0.65
ALDH1A1 P00352 7/20 0.62
KDM4E B2RXH2 1/20 0.62
POLB P06746 3/20 0.54
LMNA P02545 3/20 0.52
MAPK1 P28482 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 2/20 0.52
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.49
EPHX1 P07099 1/20 0.49

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
SCHEMBL631403 1.00 MAPT (0.65) MAPTATMALDH1A1KDM4EPOLB
SCHEMBL630624 0.87 MAPT (0.65) MAPTALDH1A1KDM4ERAB9A
SCHEMBL631176 0.87 ALDH1A1 (0.53) MAPTATMALDH1A1KDM4EPOLB
SCHEMBL629830 0.86 MAPT (0.52) MAPTATMALDH1A1POLBNPC1
SCHEMBL630967 0.84 MAPT (0.59) MAPTATMALDH1A1LMNA
SCHEMBL5172311 0.81 MAPT (0.66) MAPTATMALDH1A1KDM4EPOLB
SCHEMBL24514111 0.79 CYP2C9 (0.52) MAPTALDH1A1NPC1TP53RAB9A
SCHEMBL29145365 0.79 CYP2C9 (0.52) MAPTALDH1A1NPC1TP53RAB9A
SCHEMBL334850 0.77 MAPT (0.74) MAPTATMALDH1A1KDM4EPOLB
SCHEMBL6755308 0.77 ACACB (0.55) MAPTATMALDH1A1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 MAPT 192/4885ATM 4600/4885ALDH1A1 3038/4885

“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.