SCHEMBL13856427

SCHEMBL13856427

CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
KDM4E B2RXH2 6/20 0.76
HPGD P15428 5/20 0.76
HTT P42858 4/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
POLB P06746 2/20 0.76
GAA P10253 2/20 0.76
TDP1 Q9NUW8 2/20 0.76
LMNA P02545 4/20 0.71
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
MAPT P10636 2/20 0.65
TP53 P04637 1/20 0.65
HSD17B10 Q99714 2/20 0.61
CYP1A2 P05177 1/20 0.59
TOP2A P11388 1/20 0.59
CYP2C9 P11712 1/20 0.59
TOP2B Q02880 1/20 0.59

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
SCHEMBL12325898 0.95 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL6305080 0.89 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL4718919 0.88 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL9162886 0.88 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL4717454 0.87 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL6720867 0.86 KDM4E (1.00) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL9407643 0.85 KDM4E (0.60) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL4717706 0.85 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL4718628 0.84 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
Ciprofloxacin SCHEMBL5929240 0.83 KDM4E (0.75) ALDH1A1KDM4EHPGDHTTSMN1; SMN2

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
US-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB ALDH1A1 3948/4885KDM4E 360/4885HPGD 2406/4885

“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.