SCHEMBL4350070

SCHEMBL4350070

CCCCCNC(=O)N(S)c1cccc(F)c1O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.40
EPHX1 P07099 6/20 0.40
EPHX2 P34913 3/20 0.40
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL4356038 0.85 HPGD (0.44) NAAAEPHX1EPHX2ALDH1A1HTT
SCHEMBL4355852 0.85 EPHX2 (0.48) NAAAEPHX1EPHX2ALDH1A1HTT
SCHEMBL4349401 0.81 MGLL (0.38) NAAAEPHX1EPHX2TRPV1SMN1; SMN2
SCHEMBL4355899 0.80 RAB9A (0.53) EPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL4354053 0.79 TRPV1 (0.44) NAAAEPHX1EPHX2TRPV1SMN1; SMN2
SCHEMBL4349848 0.75 KMT2A (0.44) ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL4133486 0.75 NAAA (0.49) NAAAEPHX1EPHX2ALDH1A1HTT
SCHEMBL4350102 0.74 TRPV1 (0.49) NAAAEPHX2TRPV1
SCHEMBL4346809 0.74 TRPV1 (0.46) NAAAEPHX1EPHX2ALDH1A1TRPV1
SCHEMBL4352149 0.74 ERN1 (0.38) ALDH1A1HTTHPGD

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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 NAAA 2425/4885EPHX1 1676/4885EPHX2 769/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 NAAA 2193/4885EPHX1 1334/4885EPHX2 627/4885

“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.