SCHEMBL929643

SCHEMBL929643

C=CCSC[C@H](N)C(=O)OC

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
ALOX5 P09917 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL14160472 1.00 KIF11 (0.37) KIF11ALOX5SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL18951922 0.98 KIF11 (0.36) KIF11ALOX5SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL929644 0.98 KIF11 (0.36) KIF11ALOX5SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL929641 0.98 KIF11 (0.36) KIF11ALOX5SMN1; SMN2MEN1KMT2A
SCHEMBL11861945 0.84 SMN1; SMN2 (0.36) ALOX5SMN1; SMN2ALDH1A1
SCHEMBL20077224 0.84 KIF11 (0.38) KIF11SMN1; SMN2ARG1ARG2
SCHEMBL4412611 0.82 ALOX5 (0.34) ALOX5SMN1; SMN2ARG1ARG2
SCHEMBL557341 0.82 MAPT (0.35) ALOX5SMN1; SMN2ARG1ARG2ALDH1A1
SCHEMBL23129041 0.81 KIF11 (0.40) KIF11SMN1; SMN2ARG1ARG2
SCHEMBL1709969 0.81 KIF11 (0.40) KIF11SMN1; SMN2ARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180362456-A1 NEW COMPOUNDS WITH ANTIOXIDANT AND ANTIAGING ACTIVITY EMS S/A (BR) 2018-12-20 US disclosed
WO-2017096450-A1 NEW COMPOUNDS WITH ANTIOXIDANT AND ANTIAGING ACTIVITY EMS S/A (BR) 2017-06-15 WO disclosed
US-9434762-B2 Macrocyclic cysteine protease inhibitors and compositions thereof UNIVERSITY OF CANTERBURY (NZ) 2016-09-06 US disclosed
US-20140194362-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof LINCOLN UNIVERSITY (NZ) 2014-07-10 US disclosed
US-8710178-B2 Macrocyclic cysteine protease inhibitors and compositions thereof LINCOLN UNIVERSITY (NZ) 2014-04-29 US disclosed
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof UNIVERSITY OF CANTERBURY (NZ) 2011-01-27 US disclosed
WO-2008048121-A2 MACROCYCLIC CYSTEINE PROTEASE INHIBITORS AND COMPOSITIONS THEREOF LINCOLN UNIVERSITY (NZ) 2008-04-24 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 (3 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-20180362456-A1 NEW COMPOUNDS WITH ANTIOXIDANT AND ANTIAGING ACTIVITY GPX1, CAT, GPX4 KIF11 4507/4885ALOX5 193/4885SMN1; SMN2 2003/4885
US-20140194362-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 KIF11 3435/4885ALOX5 2562/4885SMN1; SMN2 2726/4885
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 KIF11 3435/4885ALOX5 2562/4885SMN1; SMN2 2726/4885

“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.