SCHEMBL17435745

SCHEMBL17435745

COC(=O)[C@@H](N)C(C)(C)SC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL7346068 1.00 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL17435743 1.00 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL10080777 0.78 CA1 (0.36) SMN1; SMN2CA1CA2
SCHEMBL500459 0.77 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL20879474 0.77 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL500460 0.77 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL17451851 0.76 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CA1CA2CA14
SCHEMBL16821022 0.75 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
Hydrochloric Acid SCHEMBL1705950 0.75 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTPTGS1CA1
SCHEMBL16147546 0.75 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTPTGS1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369426-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-12-28 US disclosed
US-20170369426-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-12-28 US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 US disclosed
US-20160016895-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-01-21 US disclosed
US-20160016895-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-01-21 US disclosed
US-20160016895-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-01-21 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 (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-20160016895-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS SMN1; SMN2 1996/4885ALDH1A1 1168/4885MAPT 4489/4885
US-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS SMN1; SMN2 1996/4885ALDH1A1 1168/4885MAPT 4489/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS SMN1; SMN2 1996/4885ALDH1A1 1168/4885MAPT 4489/4885

“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.