SCHEMBL14093752

SCHEMBL14093752

COC(=O)CCCNS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
CA12 O43570 5/20 0.58
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA9 Q16790 5/20 0.58
TDP1 Q9NUW8 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
PKM P14618 2/20 0.53
LMNA P02545 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 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
SCHEMBL31522337 0.94 ALDH1A1 (0.57) ALDH1A1CA12CA1CA2CA9
SCHEMBL12207107 0.91 CA12 (0.61) ALDH1A1CA12CA1CA2CA9
SCHEMBL28399402 0.87 ALDH1A1 (0.65) ALDH1A1CA12CA2CA9MEN1
SCHEMBL4712869 0.86 ALDH1A1 (0.61) ALDH1A1CA12CA1CA2CA9
SCHEMBL20522281 0.85 LMNA (0.71) ALDH1A1CA12CA2CA9TDP1
SCHEMBL7945710 0.85 ALDH1A1 (0.64) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL28147718 0.85 ALDH1A1 (0.71) ALDH1A1CA12CA9PKMLMNA
SCHEMBL12570978 0.83 ALDH1A1 (0.68) ALDH1A1PKMLMNASMN1; SMN2KDM4E
SCHEMBL14093751 0.82 ALDH1A1 (0.60) ALDH1A1CA12CA1CA2CA9
SCHEMBL4712224 0.82 ALDH1A1 (0.60) ALDH1A1PKMLMNACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-28 US disclosed
US-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-28 US disclosed
WO-2008040000-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-04-03 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-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 ALDH1A1 569/4885CA12 1772/4885CA1 1140/4885

“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.