SCHEMBL21393553

SCHEMBL21393553

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
POLB P06746 4/20 0.33
HDAC2 Q92769 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
DUT P33316 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.32
APAF1 O14727 1/20 0.32
GRK2 P25098 1/20 0.32
DNMT1 P26358 1/20 0.32
PTPN7 P35236 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL21393670 0.81 SMN1; SMN2 (0.41) SMN1; SMN2HPGDALDH1A1MAPK1KMT2A
SCHEMBL21393558 0.80 ALDH1A1 (0.39) SMN1; SMN2HPGDALDH1A1KMT2APOLB
SCHEMBL21394026 0.78 HPGD (0.40) SMN1; SMN2HPGDALDH1A1MAPK1KMT2A
SCHEMBL19171550 0.77 SMN1; SMN2 (0.50) SMN1; SMN2HPGDALDH1A1KMT2APOLB
SCHEMBL19808626 0.76 CA1 (0.41) SMN1; SMN2HPGDALDH1A1MAPK1KMT2A
SCHEMBL18072253 0.76 LMNA (0.44) MMP2MMP9POLBCA1CA2
SCHEMBL22685135 0.73 KDM4E (0.48) ALDH1A1POLBCA1CA2GAA
SCHEMBL1302691 0.73 SMN1; SMN2 (0.44) SMN1; SMN2HPGDALDH1A1MAPK1KMT2A
SCHEMBL9116620 0.72 ALDH1A1 (0.58) SMN1; SMN2HPGDALDH1A1POLBHDAC2
SCHEMBL12085971 0.71 KDM4E (0.52) SMN1; SMN2HPGDALDH1A1POLBHDAC2

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 SMN1; SMN2 1421/4885HPGD 161/4885ALDH1A1 650/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT SMN1; SMN2 1421/4885HPGD 161/4885ALDH1A1 650/4885

“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.