SCHEMBL638375

SCHEMBL638375

CC1(C)C2CCC1(C)C(O)C2CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
CNR2 P34972 2/20 0.33
CDC25A P30304 6/20 0.33
HSD11B1 P28845 1/20 0.32
PTPN1 P18031 1/20 0.32
CDC45 O75419 2/20 0.32
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP1A2 P50993 1/20 0.32
ATP1B3 P54709 1/20 0.32
FXYD2 P54710 1/20 0.32
ATP1A4 Q13733 1/20 0.32
PTPRC P08575 1/20 0.32
POLA1 P09884 1/20 0.30
TOP2A P11388 1/20 0.30
TOP2B Q02880 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
SCHEMBL504002 1.00 DPP4 (0.40) DPP4CNR2CDC25AHSD11B1PTPN1
SCHEMBL1285599 1.00 DPP4 (0.40) DPP4CNR2CDC25AHSD11B1PTPN1
SCHEMBL6907574 0.78 CNR2 (0.36) DPP4CNR2
SCHEMBL6907572 0.78 CNR2 (0.36) DPP4CNR2
SCHEMBL637619 0.73 ALDH1A1 (0.30)
SCHEMBL10406290 0.72 CNR2 (0.36) CNR2
SCHEMBL6568487 0.71 ALDH1A1 (0.38) DPP4
SCHEMBL5407267 0.69 CNR2 (0.36) DPP4CNR2
SCHEMBL1668635 0.69 CNR2 (0.36) DPP4CNR2
SCHEMBL29761172 0.69 CNR2 (0.36) DPP4CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326652-B1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK SHARP & DOHME (US) 2014-04-16 EP disclosed
US-8119806-B2 Cicletanine derivatives MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
EP-0849634-B1 Radiation sensitive resin composition JSR CORP (JP) 2004-03-31 EP disclosed
US-6322949-B2 SULFONIUM COMPOUND AS PHOTOACID GENERATOR JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-11-27 US disclosed
US-20010014427-A1 Radiation sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-08-16 US disclosed
US-6238842-B1 SUITABLE FOR USE WITH AN EXPOSURE LIGHT HAVING A WAVELENGTH OF 250 NM OR SHORTER, ESPECIALLY 220 NM OR SHORTER; ACID GENERATING COMPOUND; RESIN HAVING MONOVALENT POLYALICYCLIC GROUPS FUJI PHOTO FILM CO., LTD. (JP) 2001-05-29 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
US-6187504-B1 PHOTOSENSITIVE BLEND CONTAINING A NAPHTHALENE SULFONIUM SULFONATE DERIVATIVE PHOTOACID GENERATOR, RESIN HAVING ALKALI INSOLUBLE GROUPS CLEAVABLE BY ACID, AN ALKALI SOLUBLE RESIN AND A SOLUBILITY CONTROL AGENT; POSITIVES, RESOLUTION JSR CORPORATION (JP) 2001-02-13 US disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0849634-A1 Radiation sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-06-24 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 (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-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 DPP4 3268/4885CNR2 230/4885CDC25A 2793/4885

“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.