SCHEMBL21393558

SCHEMBL21393558

CC(C)(C)NC(=O)CS(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.37
POLB P06746 4/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL21393553 0.80 SMN1; SMN2 (0.40) ALDH1A1HPGDPOLBCA1CA2
SCHEMBL21393550 0.78 POLB (0.37) ALDH1A1HPGDPOLBCA1CA2
SCHEMBL21394037 0.76 ALDH1A1 (0.36) ALDH1A1HPGDPOLBCA1CA2
SCHEMBL21394029 0.74 TSHR (0.36) ALDH1A1HPGDPOLBCA1CA2
SCHEMBL18026348 0.73 ALDH1A1 (0.47) ALDH1A1HPGDPOLBCA1CA2
SCHEMBL19808626 0.73 CA1 (0.41) ALDH1A1HPGDPOLBCA1CA2
SCHEMBL1687263 0.72
SCHEMBL6525345 0.72
SCHEMBL14014498 0.71 MCL1 (0.41) ALDH1A1HPGDCA1CA2SMN1; SMN2
SCHEMBL21394028 0.71 ALDH1A1 (0.36) ALDH1A1HPGDPOLBCA1CA2

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 650/4885HPGD 161/4885POLB 3216/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT ALDH1A1 650/4885HPGD 161/4885POLB 3216/4885

“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.