SCHEMBL17221973

SCHEMBL17221973

CCOC(=O)C(=[N+]=[N-])S(=O)(=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
TSHR P16473 3/20 0.45
CYP2C19 P33261 1/20 0.45
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL21595092 0.79 ALDH1A1 (0.52) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL23997724 0.78 GAA (0.48) GAATSHRCYP2C19PKMNPSR1
SCHEMBL1457281 0.77 TSHR (0.52) GAATSHRCYP2C19PKMNPSR1
SCHEMBL7962771 0.77 TSHR (0.43) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL9696507 0.75 ALDH1A1 (0.48) GAATSHRCYP2C19PKMNPSR1
SCHEMBL9696503 0.75 ALDH1A1 (0.48) GAATSHRCYP2C19PKMNPSR1
SCHEMBL27818031 0.73 MEN1 (0.46) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL21595203 0.71 ALDH1A1 (0.36) GAATSHRNPSR1MEN1KMT2A
SCHEMBL6549890 0.71 CA2 (0.52) TSHRKMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL28366287 0.71 CES2 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922535-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
US-9469608-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
US-9469608-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
US-20150315141-A1 Thrombin Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-05 US disclosed
US-20150315141-A1 Thrombin Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-05 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-20150315141-A1 Thrombin Inhibitors F3, F2, F9 GAA 4869/4885TSHR 20/4885CYP2C19 753/4885

“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.