SCHEMBL25178201

SCHEMBL25178201

CC(C(=O)O)[C@H](N)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.46
ESR2 Q92731 3/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
SRC P12931 1/20 0.44
SLC7A5 Q01650 1/20 0.44
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM8 O00222 1/20 0.41
GRM4 Q14833 1/20 0.41
APP P05067 1/20 0.41
FOLH1 Q04609 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
SLC6A2 P23975 2/20 0.39
LMNA P02545 2/20 0.39
HIF1A Q16665 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
SCHEMBL3886489 0.83 DPP4 (0.54) SRCLMNAHIF1AKDM4ECYP2D6
SCHEMBL5862033 0.83 DPP4 (0.54) SRCLMNAHIF1AKDM4ECYP2D6
SCHEMBL804146 0.83 DPP4 (0.54) SRCLMNAHIF1AKDM4ECYP2D6
SCHEMBL7415779 0.83 DPP4 (0.54) SRCLMNAHIF1AKDM4ECYP2D6
SCHEMBL16967371 0.83 DPP4 (0.54) SRCLMNAHIF1AKDM4ECYP2D6
SCHEMBL4674647 0.83 DPP4 (0.54) SRCLMNAHIF1AKDM4ECYP2D6
SCHEMBL804233 0.83 DPP4 (0.54) SRCLMNAHIF1AKDM4ECYP2D6
SCHEMBL16967416 0.82 ADRB2 (0.52) CYP3A4CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL831692 0.82 ADRB2 (0.52) CYP3A4CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL1585460 0.82 ALOX5 (0.47) CYP1A2CYP2C9MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11648244-B2 Methods for the treatment of abnormal involuntary movement disorders AUSPEX PHARMACEUTICALS, INC. (US) 2023-05-16 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 (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-11648244-B2 Methods for the treatment of abnormal involuntary movement disorders CKMT1A; CKMT1B, GYS1, MUSK ESR1 4662/4885ESR2 3879/4885PDCD1 3860/4885

“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.