SCHEMBL18629893

SCHEMBL18629893

CCCNC(=O)C(N)C(C)(C)S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
DPP7 Q9UHL4 2/20 0.41
KDM4C Q9H3R0 1/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
RRM1 P23921 1/20 0.38
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
EPHX1 P07099 2/20 0.34
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL12908822 0.84 ALDH1A1 (0.50) PTGS1ALDH1A1MAPTDPP7USP2
SCHEMBL14755648 0.83 PTGS1 (0.45) PTGS1ALDH1A1MAPTDPP7USP2
SCHEMBL14752342 0.81 ANPEP (0.51) PTGS1ALDH1A1MAPTDPP7MMP2
SCHEMBL6738103 0.81 ALDH1A1 (0.48) PTGS1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6739306 0.80 ALDH1A1 (0.47) PTGS1ALDH1A1MAPT
SCHEMBL17302420 0.78 KDM4C (0.40) PTGS1ALDH1A1DPP7KDM4CUSP2
SCHEMBL6734271 0.77 ALDH1A1 (0.52) PTGS1ALDH1A1MAPT
SCHEMBL7756796 0.77 ALDH1A1 (0.52) PTGS1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6741437 0.76 ALDH1A1 (0.50) PTGS1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7753276 0.76 ALDH1A1 (0.50) PTGS1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20170073305-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE CATABASIS PHARMACEUTICALS, INC. 2017-03-16 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 (2 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-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 PTGS1 784/4885ALDH1A1 3440/4885MAPT 2895/4885
US-20170073305-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE FASN, FADS1, ELOVL5 PTGS1 909/4885ALDH1A1 810/4885MAPT 234/4885

“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.