SCHEMBL630170

SCHEMBL630170

Cc1cc(OC(N)=O)ccc1C[CH]C(=O)NC1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGDS O60760 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
ADAMTS4 O75173 1/20 0.32
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
CHEK1 O14757 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL631367 0.82 EPHX2 (0.34) MEN1KMT2AHPGDSSMN1; SMN2KDM1A
SCHEMBL630133 0.74 MEN1 (0.51) MEN1KMT2AKDM1AALDH1A1NPC1
SCHEMBL631341 0.71 SMN1; SMN2 (0.39) HPGDSSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL630944 0.70 EPHX2 (0.38) MEN1KMT2AALDH1A1LMNA
SCHEMBL630171 0.69 SOS1 (0.47) MEN1KMT2AHPGDSALDH1A1HPGD
SCHEMBL3140453 0.65 HPGD (0.43) SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL17152289 0.65 OPRK1 (0.34) SMN1; SMN2KDM1ANPC1RAB9ACHEK1
SCHEMBL13162029 0.64 HPGDS (0.57) MEN1KMT2AHPGDSSMN1; SMN2KDM1A
SCHEMBL29798407 0.64 HPGDS (0.57) MEN1KMT2AHPGDSSMN1; SMN2KDM1A
SCHEMBL13162331 0.64 SMN1; SMN2 (0.49) MEN1KMT2AHPGDSSMN1; SMN2KDM1A

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 9 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
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 MEN1 4809/4885KMT2A 4807/4885HPGDS 2977/4885

“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.