SCHEMBL2846208

SCHEMBL2846208

OCc1cnc2occc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
CDK8 P49336 1/20 0.35
PIK3CD O00329 1/20 0.35
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PLAU P00749 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
PRKCI P41743 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
SCHEMBL6639359 0.81 PIK3CD (0.37) PIK3CD
SCHEMBL10855532 0.81 PARP1 (0.39) PIK3CD
SCHEMBL13548275 0.79 FGFR1 (0.34) PIK3CDHSD17B10KDR
SCHEMBL13547873 0.77 PIK3CD (0.33) PIK3CD
SCHEMBL10559790 0.75 HRH3 (0.38)
SCHEMBL2852675 0.75 HRH1 (0.39) PIK3CD
SCHEMBL3662694 0.73 PARP1 (0.34) PIK3CD
SCHEMBL2847867 0.73 NR4A2 (0.40) CDK8HSD17B10
SCHEMBL2844615 0.73 MEN1 (0.40) PIK3CDKDR
SCHEMBL6930393 0.73 PIK3CD (0.35) PIK3CDCA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 WO disclosed
EP-0734387-B1 HIV PROTEASE INHIBITORS MERCK & CO INC (US) 2002-04-10 EP disclosed
EP-0915847-A4 SUBSTITUTED SULFONAMIDES AS SELECTIVE BETA3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO INC (US) 2001-01-17 EP disclosed
EP-0784698-A4 BIOLOGICAL RESOLUTION OF RACEMIC INDENE OXIDE TO (1S,2R)-INDENE OXIDE MERCK & CO INC (US) 1999-07-14 EP disclosed
EP-0915847-A1 SUBSTITUTED SULFONAMIDES AS SELECTIVE BETA3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY Merck & Co., Inc. (US) 1999-05-19 EP disclosed
WO-1998004526-A1 SUBSTITUTED SULFONAMIDES AS SELECTIVE β3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 1998-02-05 WO disclosed
EP-0784698-A1 BIOLOGICAL RESOLUTION OF RACEMIC INDENE OXIDE TO (1S,2R)-INDENE OXIDE Merck & Co., Inc. (US) 1997-07-23 EP disclosed
US-5650412-A VIRICIDES, IMMUNOMODULATORS, ANTIBIOTICS OR VACCINES MERCK & CO., INC. (US) 1997-07-22 US disclosed
US-5646148-A PIPERAZINYLBENZOFURAN DERIVATIVES MERCK & CO., INC. (US) 1997-07-08 US disclosed
EP-0734387-A4 HIV PROTEASE INHIBITORS MERCK & CO INC (US) 1997-03-05 EP disclosed
EP-0734387-A1 HIV PROTEASE INHIBITORS MERCK & CO. INC. (US) 1996-10-02 EP disclosed
WO-1996012818-A1 BIOLOGICAL RESOLUTION OF RACEMIC INDENE OXIDE TO (1S,2R)-INDENE OXIDE MERCK & CO., INC. (US) 1996-05-02 WO disclosed
US-5489685-A CATALYTIC REACTION OF TRIMETHYLSILYLACETYLENE WITH HALOGENATED HYDROXY PYRIDINE ESTER, THEN INCUBATION WITH ACID AND TREATMENT WITH STRONG BASE OR HALIDE FOR CYCLIZATION MERCK & CO., LTD. (US) 1996-02-06 US disclosed
WO-1995016688-A1 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 1995-06-22 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A RECQL 302/4885CDK8 3362/4885PIK3CD 3608/4885

“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.