SCHEMBL830393

SCHEMBL830393

COCC1(C(=O)O)C=CC=C(C(=O)O)C1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL30395295 0.79 TSHR (0.31) TSHRMAPK1HSD17B10TDP1
SCHEMBL830114 0.79 TSHR (0.33) TSHRMAPK1HSD17B10TDP1
SCHEMBL27565357 0.76 TSHR (0.31) TSHRMAPK1HSD17B10TDP1
SCHEMBL27778400 0.74
SCHEMBL27471194 0.74
SCHEMBL7174885 0.73 KDM4E (0.33)
SCHEMBL1236956 0.72 TSHR (0.33) TSHRMAPK1HSD17B10TDP1
SCHEMBL9957230 0.71 TSHR (0.34) TSHRMAPK1HSD17B10TDP1
Hydrochloric Acid SCHEMBL5502358 0.71 THRB (0.34) TSHRMAPK1HSD17B10TDP1
Hydrochloric Acid SCHEMBL17667153 0.71 THRB (0.34) TSHRMAPK1HSD17B10TDP1

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
US-8143405-B2 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp (US) 2012-03-27 US disclosed
EP-2077719-B1 PIPERIDINE AND PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2011-12-28 EP disclosed
US-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2010-02-18 US disclosed
EP-2077719-A2 PIPERIDINE AND PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck and Co., Inc. (US) 2009-07-15 EP disclosed
WO-2008036316-A2 PIPERIDINE AND PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-03-27 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 (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-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, PSEN1 TSHR 4743/4885MAPK1 3119/4885HSD17B10 2009/4885

“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.