SCHEMBL21393556

SCHEMBL21393556

CC(C)(C)NC(=O)C1(S(N)(=O)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 3/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL832461 0.72 ALDH1A1 (0.34) ALDH1A1LMNAPOLBNPSR1HTT
SCHEMBL19964619 0.70 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2POLBNPSR1
SCHEMBL636356 0.69 KMT2A (0.39) ALDH1A1POLBNPSR1
SCHEMBL51396 0.68 NPSR1 (0.57) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL4977032 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL788049 0.68 CA1 (0.37) NPSR1
SCHEMBL12057417 0.67 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2POLBNPSR1
SCHEMBL21393711 0.67 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2POLBNPSR1
SCHEMBL4982115 0.67 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21393559 0.67 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2NPSR1HTT

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 4632/4885SMN1; SMN2 1421/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT ALDH1A1 650/4885LMNA 4632/4885SMN1; SMN2 1421/4885

“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.