SCHEMBL631095

SCHEMBL631095

CCOc1ccc(NC(=O)[CH]Cc2ccc([C@H](O)C(N)=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 5/20 0.46
EGFR P00533 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
METAP2 P50579 2/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL5172935 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL631406 0.81 NR4A1 (0.45) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL631175 0.76 ALDH1A1 (0.47) ALDH1A1POLBLMNATDP1MAPT
SCHEMBL630245 0.72 RAB9A (0.47) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL30445926 0.71 KMT2A (0.69) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL177957 0.70 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL28617126 0.69 EGFR (0.66) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL8548307 0.69 TGM2 (0.68) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL11227015 0.69 KMT2A (0.65) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL7472046 0.69 NPC1 (0.58) ALDH1A1MEN1KMT2APOLBLMNA

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
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
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 ALDH1A1 3038/4885MEN1 4809/4885KMT2A 4807/4885

“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.