SCHEMBL2021014

SCHEMBL2021014

C[C@@H]1C[C@]23CC[C@H]4C(C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@@H]1C3

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.59
F10 P00742 5/20 0.58
HSD11B1 P28845 2/20 0.56
PTPN2 P17706 1/20 0.54
CDC25B P30305 1/20 0.54
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
SELP P16109 1/20 0.42
CYP2C9 P11712 1/20 0.42
PAX8 Q06710 1/20 0.41
MMP2 P08253 1/20 0.40
ATM Q13315 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
RPA1 P27694 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38

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
SCHEMBL2021012 1.00 PTPN1 (0.59) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL29626875 1.00 PTPN1 (0.59) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL30997030 0.87 PTPN1 (0.59) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL17027695 0.81 HSD11B1 (0.57) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL3513520 0.81 HSD11B1 (0.57) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL29552568 0.80 PTPN1 (0.41) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL29404708 0.80 PTPN1 (0.41) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL29366469 0.80 PTPN1 (0.41) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL29421727 0.80 PTPN1 (0.41) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL3490260 0.80 F10 (0.66) PTPN1F10HSD11B1PTPN2CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155769-B1 TISSUE DEGENERATION PROTECTION UNIV LEUVEN KATH (BE) 2012-06-27 EP claimed
US-20100099640-A1 TISSUE DEGENERATION PROTECTION GEUNS JOANNES 2010-04-22 US claimed
EP-2155769-A2 TISSUE DEGENERATION PROTECTION Katholieke Universiteit Leuven (BE) 2010-02-24 EP claimed
WO-2008134828-A2 TISSUE DEGENERATION PROTECTION KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-11-13 WO claimed
US-9491963-B2 Sweetness enhancers, compositions thereof, and methods for use THE COCA-COLA COMPANY (US) 2016-11-15 US disclosed
US-20150216219-A1 Sweetness Enhancers, Compositions Thereof, and Methods for Use THE COCA-COLA COMPANY 2015-08-06 US disclosed
US-9012520-B2 Sweetness enhancers, compositions thereof, and methods for use THE COCA-COLA COMPANY (US) 2015-04-21 US disclosed
EP-2155769-B1 TISSUE DEGENERATION PROTECTION UNIV LEUVEN KATH (BE) 2012-06-27 EP disclosed
US-20110160311-A1 Sweetness Enhancers, Compositions Thereof, and Methods for Use THE COCA-COLA COMPANY 2011-06-30 US disclosed
US-20100099640-A1 TISSUE DEGENERATION PROTECTION GEUNS JOANNES 2010-04-22 US disclosed
EP-2155769-A2 TISSUE DEGENERATION PROTECTION Katholieke Universiteit Leuven (BE) 2010-02-24 EP disclosed
WO-2008134828-A2 TISSUE DEGENERATION PROTECTION KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-11-13 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-20100099640-A1 TISSUE DEGENERATION PROTECTION SORD, CASP3, TXNRD2 PTPN1 3492/4885F10 551/4885HSD11B1 187/4885

“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.