SCHEMBL20194646

SCHEMBL20194646

CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
ITGA4 P13612 1/20 0.51
MMP1 P03956 4/20 0.49
MMP13 P45452 4/20 0.49
MMP3 P08254 3/20 0.49
MMP7 P09237 3/20 0.49
KCNQ1 P51787 1/20 0.49
CAPN1 P07384 4/20 0.46
CTSB P07858 1/20 0.46
MMP9 P14780 1/20 0.46
ADAM17 P78536 1/20 0.46
FKBP1A P62942 3/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB1 P05556 2/20 0.44
ITGA5 P08648 2/20 0.44
MMP2 P08253 1/20 0.43

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
SCHEMBL20349859 1.00 ALDH1A1 (0.52) ALDH1A1ITGA4MMP1MMP13MMP3
SCHEMBL5351635 0.94 ALDH1A1 (0.51) ALDH1A1ITGA4MMP1MMP13MMP3
SCHEMBL20349899 0.94 ALDH1A1 (0.51) ALDH1A1ITGA4MMP1MMP13MMP3
SCHEMBL20349905 0.94 ALDH1A1 (0.53) ALDH1A1ITGA4MMP1MMP13MMP3
SCHEMBL20349851 0.92 FKBP1A (0.49) ALDH1A1ITGA4MMP1MMP13MMP3
SCHEMBL20349862 0.91 ALDH1A1 (0.53) ALDH1A1ITGA4MMP1MMP13MMP3
SCHEMBL20349847 0.91 ALDH1A1 (0.53) ALDH1A1ITGA4MMP1MMP13MMP3
SCHEMBL20349850 0.91 ALDH1A1 (0.50) ALDH1A1ITGA4MMP1MMP13MMP3
SCHEMBL20349846 0.91 ALDH1A1 (0.50) ALDH1A1ITGA4MMP1MMP13MMP3
SCHEMBL28797859 0.91 ALDH1A1 (0.50) ALDH1A1ITGA4MMP1MMP13MMP3

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-10335417-B2 Thiazideamide derivative and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2019-07-02 US disclosed
US-20180185376-A1 Thiazideamide Derivative and Use Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-07-05 US disclosed
EP-3327010-A1 THIAZIDEAMIDE DERIVATIVE AND USE THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2018-05-30 EP 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-10335417-B2 Thiazideamide derivative and use thereof TREH, AQP4, TST ALDH1A1 1305/4885ITGA4 4546/4885MMP1 1369/4885
US-20180185376-A1 Thiazideamide Derivative and Use Thereof TREH, AQP4, TST ALDH1A1 1305/4885ITGA4 4546/4885MMP1 1369/4885

“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.