SCHEMBL21393550

SCHEMBL21393550

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 2/20 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
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.33
HDAC2 Q92769 1/20 0.33
CA1 P00915 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
SCHEMBL21394029 0.81 TSHR (0.36) POLBALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL21393670 0.79 SMN1; SMN2 (0.41) POLBALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL21393558 0.78 ALDH1A1 (0.39) POLBALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL21394028 0.78 ALDH1A1 (0.36) POLBALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL18026348 0.75 ALDH1A1 (0.47) POLBALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL14241692 0.75 CACNA1H (0.33)
SCHEMBL23225431 0.75 MAPT (0.35) POLBALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL3989465 0.74
SCHEMBL11571912 0.74
SCHEMBL19171550 0.73 SMN1; SMN2 (0.50) POLBALDH1A1SMN1; SMN2NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-09-07 US disclosed
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-07-20 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
WO-2021027594-A1 IMIDAZOLOPYRIMIDINE COMPOUNDS COMPRISING FUSED RING GROUP, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-02-18 WO disclosed
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-09-26 US disclosed
US-8207170-B2 Heterocyclic substituted piperazines with CXCR3 antagonist activity SCHERING CORPORATION (US) 2012-06-26 US disclosed
US-20120157466-A1 HETEROCYCLIC COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY MERCK SHARP & DOHME CORP. 2012-06-21 US disclosed
US-20110065651-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION (US) 2011-03-17 US disclosed
US-7868006-B2 Heterocyclic substituted piperazines with CXCR3 antagonist activity SCHERING CORPORATION (US) 2011-01-11 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 (6 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-20120157466-A1 HETEROCYCLIC COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY CXCR3, ACKR3, CXCR1 POLB 3219/4885ALDH1A1 1741/4885SMN1; SMN2 3528/4885
US-20110065651-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY CXCR3, CXCR1, CCR5 POLB 2475/4885ALDH1A1 898/4885SMN1; SMN2 2678/4885
US-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT POLB 3216/4885ALDH1A1 650/4885SMN1; SMN2 1421/4885
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, FCGR3B, FCGR2A POLB 1097/4885ALDH1A1 4520/4885SMN1; SMN2 2343/4885
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, ASGR1, FCGR3B POLB 1552/4885ALDH1A1 4368/4885SMN1; SMN2 1482/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT POLB 3216/4885ALDH1A1 650/4885SMN1; 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.