SCHEMBL346462

SCHEMBL346462

COc1cccc(CCC(=O)N2C(=O)OCC2Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.49
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
RAB9A P51151 1/20 0.45
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
PLA2G4A P47712 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
FAAH O00519 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
GAA P10253 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL346461 1.00 NAAA (0.49) NAAACASP3CASP7RAB9ATPSAB1
SCHEMBL15807584 0.91 SMN1; SMN2 (0.47) NAAACASP3CASP7RAB9AFAAH
SCHEMBL17186412 0.89 FAAH (0.48) NAAACASP3CASP7LTB4RLTB4R2
SCHEMBL7423431 0.89 FAAH (0.48) NAAACASP3CASP7LTB4RLTB4R2
SCHEMBL28888979 0.87 MAPK1 (0.48) NAAARAB9APLA2G4AALDH1A1
SCHEMBL28888976 0.87 MAPK1 (0.48) NAAARAB9APLA2G4AALDH1A1
SCHEMBL345276 0.85 NAAA (0.57) NAAAFAAHPPARA
SCHEMBL6334745 0.85 NAAA (0.57) NAAAFAAHPPARA
SCHEMBL345275 0.85 NAAA (0.57) NAAAFAAHPPARA
SCHEMBL23327036 0.85 CASP3 (0.48) NAAACASP3CASP7RAB9ATPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 NAAA 363/4885CASP3 696/4885CASP7 767/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 NAAA 230/4885CASP3 734/4885CASP7 775/4885

“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.