SCHEMBL2108161

SCHEMBL2108161

O=C(CBr)C1CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NLRP3 Q96P20 1/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
EPHX1 P07099 4/20 0.40
HSD11B1 P28845 4/20 0.37
RECQL P46063 1/20 0.35
HSD11B2 P80365 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NAAA Q02083 1/20 0.34
MAPK1 P28482 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
SCHEMBL17793354 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6NLRP3
SCHEMBL14865081 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6NLRP3
SCHEMBL18193512 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6NLRP3
SCHEMBL9269248 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6NLRP3
SCHEMBL611777 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6NLRP3
SCHEMBL2624020 0.97
SCHEMBL477153 0.92
SCHEMBL15045493 0.91 CES2 (0.42) CES2CES1HDAC8HDAC6NLRP3
SCHEMBL18374076 0.91 CES2 (0.42) CES2CES1HDAC8HDAC6NLRP3
SCHEMBL18373930 0.89 CES2 (0.41) CES2CES1HDAC8HDAC6NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020223538-A1 SUBSTITUTED CYCLOALKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2020-11-05 WO disclosed
EP-1912986-B1 IMIDIAZO -AND TRIAZOLOPYRIDINES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I BRISTOL MYERS SQUIBB CO (US) 2012-09-05 EP disclosed
US-8158648-B2 Heteroaryl 11-beta hydroxysteroid dehydrogenase type I inhibitors LI JAMES J (US) 2012-04-17 US disclosed
US-8158648-B2 Heteroaryl 11-beta hydroxysteroid dehydrogenase type I inhibitors LI JAMES J (US) 2012-04-17 US disclosed
US-8158648-B2 Heteroaryl 11-beta hydroxysteroid dehydrogenase type I inhibitors LI JAMES J (US) 2012-04-17 US disclosed
US-20090306084-A1 HETEROARYL 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-20090306084-A1 HETEROARYL 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-20090306084-A1 HETEROARYL 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-7572807-B2 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572807-B2 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572807-B2 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
EP-1912986-A1 IMIDIAZO -AND TRIAZOLOPYRIDINES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I Brystol-Myers Squibb Company (US) 2008-04-23 EP disclosed
WO-2006135667-A1 IMIDIAZO -AND TRIAZOLOPYRIDINES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-21 WO disclosed
US-20060281750-A1 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-14 US disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed
US-5399702-A Leukotriene antagonists; antiasthmatic, antiallergen, and antianaphylactic agents HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
EP-0577003-A1 Thiazolylvinylphenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-01-05 EP disclosed
US-5273986-A A substituted phenylalkyleneamidophenyleneethylene thiazole HOFFMANN-LA ROCHE INC. (US) 1993-12-28 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-20090306084-A1 HETEROARYL 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS HSD11B1, HSD17B1, HSD11B2 CES2 420/4885CES1 20/4885HDAC8 969/4885
US-20060281750-A1 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors HSD11B1, HSD17B1, HSD11B2 CES2 418/4885CES1 22/4885HDAC8 1013/4885

“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.