SCHEMBL6306644

SCHEMBL6306644

NC(=O)c1ccccc1C(=O)NSSNC(=O)c1ccccc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
METAP2 P50579 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
BCAT2 O15382 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
CTNNB1 P35222 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL11011223 0.88 SIRT1 (0.48) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL28968036 0.86 BCAT2 (0.53) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL17766647 0.80 ALDH1A1 (0.54) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL3473376 0.80 BCAT2 (0.42) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL39118 0.79 ALDH1A1 (0.70) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL4967588 0.79 ALDH1A1 (0.70) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL27700719 0.79 ALDH1A1 (0.70) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL1520940 0.78 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL29872360 0.78 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL4138337 0.78 CTSD (0.55) KDM4EALDH1A1MAPTHPGDTSHR

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-6943268-B2 Method for induction of L-selectin shedding SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2005-09-13 US disclosed
US-20030092763-A1 Method for induction of L-selectin shedding SCIENCE & TECHNOLOGY CORPORATION @UNM 2003-05-15 US disclosed
US-6498189-B1 SUPPRESSION OF INFLAMMATION AND OF LYMPH NODE ENTRY BY CALMODULIN ANTAGONISTS; CELL ASSOCIATED PROTEIN DISULFIDE ISOMERASE INHIBITORS; P-AMINOPHENYLARSINE OXIDES UNIVERSITY OF NEW MEXICO 2002-12-24 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-20030092763-A1 Method for induction of L-selectin shedding PDIA5, PDIA4, PDIA6 KDM4E 3839/4885ALDH1A1 1261/4885MAPT 2061/4885

“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.