SCHEMBL7768532

SCHEMBL7768532

CCNNC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
P2RX7 Q99572 1/20 0.50

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
SCHEMBL7345362 0.86 HDAC3 (0.57) ALDH1A1CA12CA1CA2CA9
SCHEMBL2295789 0.85 CA12 (0.66) ALDH1A1CA12CA1CA2CA9
SCHEMBL7396978 0.84 CA12 (0.57) ALDH1A1CA12CA1CA2CA9
SCHEMBL137308 0.84 LMNA (0.65) ALDH1A1CA12CA1CA2CA9
SCHEMBL2918702 0.84 GAA (0.64) ALDH1A1CA12CA1CA2CA9
SCHEMBL16300489 0.83 HDAC3 (0.60) ALDH1A1CA12CA1CA2CA9
SCHEMBL8878482 0.82 CA12 (0.55) ALDH1A1CA12CA1CA2CA9
SCHEMBL4149248 0.81 ALDH1A1 (0.60) ALDH1A1CA12CA1CA2CA9
SCHEMBL25533913 0.81 CTSK (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL28283782 0.81 HDAC3 (0.54) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2877457-B1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS INC (US) 2020-09-23 EP disclosed
US-20170327478-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. 2017-11-16 US disclosed
US-20170327478-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. 2017-11-16 US disclosed
US-9725426-B2 Cystathionine-γ-lyase (CSE) inhibitors SOVA PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725426-B2 Cystathionine-γ-lyase (CSE) inhibitors SOVA PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20150272934-A1 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS SOVA PHARMACEUTICALS, INC. 2015-10-01 US disclosed
US-20150272934-A1 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS SOVA PHARMACEUTICALS, INC. 2015-10-01 US disclosed
US-20150266837-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. 2015-09-24 US disclosed
US-20150266837-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. 2015-09-24 US disclosed
EP-2877457-A1 CYSTATHIONINE- -LYASE (CSE) INHIBITORS Sova Pharmaceuticals, Inc. (US) 2015-06-03 EP disclosed
EP-2877175-A2 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS Sova Pharmaceuticals, Inc. (US) 2015-06-03 EP disclosed
WO-2014018570-A1 CYSTATHIONINE-Υ-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. (US) 2014-01-30 WO disclosed
WO-2014018570-A1 CYSTATHIONINE-Υ-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. (US) 2014-01-30 WO disclosed
WO-2014018571-A2 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS SOVA PHARMACEUTICALS, INC. (US) 2014-01-30 WO disclosed
EP-1102789-A1 MONOCYCLIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTION AND COMPOSITIONS CONTAINING THEM Menarini Ricerche S.p.A. (IT) 2001-05-30 EP disclosed
WO-2000008046-A1 MONOCYCLIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTION AND COMPOSITIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2000-02-17 WO disclosed
EP-0355041-B1 Complex porphyrine compounds substituted in position 13,17 by propionic acid and propionic-acid derivatives, process for their preparation and pharmaceutical compositions containing same SCHERING AG (DE) 1995-09-20 EP disclosed
US-5275801-A X-ray and magnetic resonance imaging of tumors SCHERING AKTIENGESELLSCHAFT (DE) 1994-01-04 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-20170327478-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS CBS, CTH, BHMT ALDH1A1 954/4885CA12 2669/4885CA1 1612/4885
US-20150266837-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS CBS, CTH, BHMT ALDH1A1 954/4885CA12 2669/4885CA1 1612/4885
US-20150272934-A1 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS HIF1AN, CBS, COXFA4L2 ALDH1A1 974/4885CA12 793/4885CA1 869/4885

“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.