SCHEMBL21273121

SCHEMBL21273121

[2H]C1([2H])Oc2ccc(B(O)O)cc2O1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.37
CA2 P00918 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CA1 P00915 2/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TTR P02766 1/20 0.33
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL29956957 0.83 CYP3A4 (0.54) ALDH1A1CYP3A4MAPK1
SCHEMBL30231 0.83 CYP3A4 (0.54) ALDH1A1CYP3A4MAPK1
SCHEMBL121851 0.83 TSHR (0.46) ALDH1A1KDM4ETSHR
SCHEMBL29789730 0.80 NPC1 (0.45) ENPP2ALDH1A1TSHR
SCHEMBL8475 0.80 NPC1 (0.45) ENPP2ALDH1A1TSHR
SCHEMBL30414006 0.72 CYP3A4 (0.68) CYP3A4MAPK1
SCHEMBL4950024 0.72 CYP3A4 (0.68) CYP3A4MAPK1
SCHEMBL5710118 0.71 CYP3A4 (0.54) ALDH1A1CYP3A4MAPK1
SCHEMBL19031988 0.69 ENPP2 (0.38) ENPP2CA2ALDH1A1CA1KDM4E
SCHEMBL2662883 0.69 ABL1 (0.33) ENPP2CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-4026832-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 Almac Discovery Limited (GB) 2022-07-13 EP disclosed
US-10766903-B2 Piperidine derivatives as inhibitors of ubiquitin specific protease 7 ALMAC DISCOVERY LIMITED (GB) 2020-09-08 US disclosed
US-20190256518-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 GENETECH, INC. 2019-08-22 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-20190256518-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 USP7, USP5, UBA7 ENPP2 2104/4885CA2 4223/4885ALDH1A1 1201/4885
US-10766903-B2 Piperidine derivatives as inhibitors of ubiquitin specific protease 7 USP7, USP5, UBA7 ENPP2 2104/4885CA2 4223/4885ALDH1A1 1201/4885

“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.