Pachyrrizine

Pachyrrizine

SCHEMBL12062103

COc1cc2c(cc1-c1cc3cc4ccoc4cc3oc1=O)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 1.00
HSD17B10 Q99714 3/20 1.00
CASP1 P29466 1/20 1.00
CASP7 P55210 1/20 1.00
HTT P42858 1/20 0.42
MIF P14174 1/20 0.42
ACHE P22303 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAOA P21397 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAPDH P04406 1/20 0.40
PGR P06401 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
Pachyrrizine SCHEMBL31474215 1.00 CYP3A4 (1.00) CYP3A4HSD17B10CASP1CASP7HTT
Pachyrrizine SCHEMBL29350520 1.00 CYP3A4 (1.00) CYP3A4HSD17B10CASP1CASP7HTT
SCHEMBL29705675 0.80 HSD17B10 (0.67) CYP3A4HSD17B10CASP1CASP7ACHE
SCHEMBL1301705 0.77 CYP3A4 (0.62) CYP3A4HSD17B10CASP1CASP7HTT
SCHEMBL29804577 0.71 CYP3A4 (0.55) CYP3A4HSD17B10CASP1CASP7CYP2D6
SCHEMBL18788970 0.69 RAB9A (0.66) CYP3A4HSD17B10CASP1CASP7HTT
SCHEMBL8936325 0.68 MAOA (0.56) CYP3A4HSD17B10CASP1CASP7HTT
SCHEMBL3467047 0.67 CYP3A4 (0.59) CYP3A4HSD17B10CASP1CASP7HTT
SCHEMBL4283565 0.66 SMN1; SMN2 (0.51) CYP3A4HSD17B10CASP1CASP7ACHE
SCHEMBL4580168 0.66 MCL1 (0.55) CYP3A4HSD17B10CASP1CASP7ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808348-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen MA Inc. (US) 2021-04-21 EP disclosed
EP-3025714-B9 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-11-18 EP disclosed
EP-3025714-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-07-15 EP disclosed
US-20160151390-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC. (US) 2016-06-02 US disclosed
EP-3025714-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen MA Inc. (US) 2016-06-01 EP disclosed
US-9233107-B2 Compositions and methods for the treatment of progressive multifocal leukoencephalopathy (PML) BIOGEN MA INC. (US) 2016-01-12 US disclosed
US-8772252-B2 Coumarin compounds as melanogenesis modifiers and uses thereof NEW YORK UNIVERSITY (US) 2014-07-08 US disclosed
US-8772252-B2 Coumarin compounds as melanogenesis modifiers and uses thereof NEW YORK UNIVERSITY (US) 2014-07-08 US disclosed
US-8563754-B2 Compounds, compositions and methods for preventing skin darkening NEW YORK UNIVERSITY (US) 2013-10-22 US disclosed
US-8563754-B2 Compounds, compositions and methods for preventing skin darkening NEW YORK UNIVERSITY (US) 2013-10-22 US disclosed
US-20130183289-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN IDEC MA INC (US) 2013-07-18 US disclosed
US-20120220545-A1 COUMARIN COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF NEW YORK UNIVERSITY 2012-08-30 US disclosed
US-20120220545-A1 COUMARIN COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF NEW YORK UNIVERSITY 2012-08-30 US disclosed
US-20110190229-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING SKIN DARKENING NEW YORK UNIVERSITY 2011-08-04 US disclosed
US-20110190229-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING SKIN DARKENING NEW YORK UNIVERSITY 2011-08-04 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-20120220545-A1 COUMARIN COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF TYR, MC1R, MITF CYP3A4 573/4885HSD17B10 697/4885CASP1 3476/4885
US-20110190229-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING SKIN DARKENING TYR, MC1R, MITF CYP3A4 809/4885HSD17B10 112/4885CASP1 2746/4885

“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.