SCHEMBL14680348

SCHEMBL14680348

COCCCCCS(=O)(=O)N(C)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL14680249 0.98 USP2 (0.34) USP2HPGDHSD17B10LMNAMAPT
SCHEMBL14680269 0.77 ALDH1A1 (0.39) USP2ALDH1A1LMNA
SCHEMBL14680239 0.75 ALDH1A1 (0.35) USP2ALDH1A1LMNA
SCHEMBL14680357 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL12077552 0.71 USP2 (0.45) USP2HPGDHSD17B10ALDH1A1LMNA
SCHEMBL14680315 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14680298 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6367201 0.65 ALDH1A1 (0.46) USP2ALDH1A1LMNAMAPT
SCHEMBL2151129 0.65 ALDH1A1 (0.41) USP2ALDH1A1LMNA
SCHEMBL3690659 0.65 ALDH1A1 (0.46) USP2ALDH1A1LMNAMAPT

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-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 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-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS TYMP, PIM1, TYMS USP2 4624/4885HPGD 2488/4885HSD17B10 1086/4885

“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.