SCHEMBL21393670

SCHEMBL21393670

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
ALDH1A1 P00352 5/20 0.35
POLB P06746 4/20 0.34
HDAC2 Q92769 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 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 0.33
APAF1 O14727 1/20 0.33
GRK2 P25098 1/20 0.33
DNMT1 P26358 1/20 0.33
PTPN7 P35236 1/20 0.33
RECQL P46063 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
SCHEMBL21394026 0.83 HPGD (0.40) SMN1; SMN2HPGDMAPK1KMT2AMMP2
SCHEMBL21393553 0.81 SMN1; SMN2 (0.40) SMN1; SMN2HPGDMAPK1KMT2AMMP2
SCHEMBL21393550 0.79 POLB (0.37) SMN1; SMN2HPGDKMT2AMMP2MMP9
SCHEMBL19171550 0.78 SMN1; SMN2 (0.50) SMN1; SMN2HPGDKMT2AALDH1A1POLB
SCHEMBL3424721 0.75 LMNA (0.46) MMP2MMP9POLBKDM4E
SCHEMBL9116620 0.74 ALDH1A1 (0.58) SMN1; SMN2HPGDALDH1A1POLBHDAC2
SCHEMBL28025340 0.73 NLRP3 (0.38) ALDH1A1
SCHEMBL8778377 0.73 CTSD (0.52) ALDH1A1POLBKDM4EHTTGAA
SCHEMBL23772642 0.72 ALDH1A1 (0.56) SMN1; SMN2HPGDMAPK1KMT2AALDH1A1
SCHEMBL3902710 0.72 SMN1; SMN2 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286983-A1 PYRIDINE-1,5-DIONES EXHIBITING MNK INHIBITION AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-09-14 US disclosed
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 (3 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 161/4885MAPK1 713/4885
US-20230286983-A1 PYRIDINE-1,5-DIONES EXHIBITING MNK INHIBITION AND THEIR METHOD OF USE DMPK, PDXK, NIM1K SMN1; SMN2 439/4885HPGD 1598/4885MAPK1 176/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT SMN1; SMN2 1421/4885HPGD 161/4885MAPK1 713/4885

“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.