SCHEMBL21393743

SCHEMBL21393743

CC(C)(C)NC(=O)C1(O)CN(S(C)(=O)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.31
RORC P51449 1/20 0.31
CYP2C19 P33261 2/20 0.30
CYP2D6 P10635 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 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
SCHEMBL21393742 0.74 SMN1; SMN2 (0.38) ALDH1A1LMNASMN1; SMN2
SCHEMBL21393711 0.72 ALDH1A1 (0.39) ALDH1A1LMNAPOLBSMN1; SMN2TSHR
SCHEMBL23344764 0.69
SCHEMBL13472164 0.66 LMNA (0.53) ALDH1A1LMNAPOLBCYP2C19CYP2D6
SCHEMBL24597153 0.65 ALDH1A1 (0.32) ALDH1A1LMNATP53CYP2C19CYP2D6
SCHEMBL13342372 0.63 TP53 (0.57) ALDH1A1TP53POLBCYP2C19SMN1; SMN2
SCHEMBL23344766 0.62 CYP2D6 (0.32) ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL21393556 0.60 ALDH1A1 (0.34) ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL23344772 0.60
SCHEMBL9882953 0.60 CYP2D6 (0.33) ALDH1A1LMNATP53CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase Phenex Discovery Verwaltungs-GmbH (DE) 2021-08-03 US disclosed
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-09-26 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-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT ALDH1A1 650/4885LMNA 4632/4885TP53 3308/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT ALDH1A1 650/4885LMNA 4632/4885TP53 3308/4885

“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.