SCHEMBL4666428

SCHEMBL4666428

CSc1ccc(C2OCCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41
SLC6A4 P31645 2/20 0.35
MAPT P10636 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL13414996 0.92 NPC1 (0.36) NPC1RAB9AATMSLC6A4MAPT
SCHEMBL9451018 0.82 MEN1 (0.41) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL9778649 0.82 PRKDC (0.43) NPC1RAB9AATM
SCHEMBL19661840 0.77 KCNH2 (0.41) NPC1SLC6A4MAPTSLC6A2SLC6A3
SCHEMBL4263862 0.77 NPC1 (0.51) NPC1RAB9AMAPTMEN1GAA
SCHEMBL3083609 0.77 RAB9A (0.44) NPC1RAB9AMAPTMEN1GAA
SCHEMBL6236362 0.72 MEN1 (0.36) NPC1RAB9AMAPTMEN1GAA
SCHEMBL2633867 0.72 MAPK1 (0.47) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL3140395 0.72 MAPT (0.51) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL511959 0.72 KDM1A (0.40) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9982002-B2 Sulfoxidation catalysts and methods for their preparation and use INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IN) 2018-05-29 US disclosed
US-9982002-B2 Sulfoxidation catalysts and methods for their preparation and use INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IN) 2018-05-29 US disclosed
US-20160251388-A1 SULFOXIDATION CATALYSTS AND METHODS FOR THEIR PREPARATION AND USE INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IN) 2016-09-01 US disclosed
US-20160251388-A1 SULFOXIDATION CATALYSTS AND METHODS FOR THEIR PREPARATION AND USE INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IN) 2016-09-01 US disclosed
WO-2015056117-A2 SULFOXIDATION CATALYSTS AND METHODS FOR THEIR PREPARATION AND USE INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IN) 2015-04-23 WO disclosed
EP-1638551-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2011-12-21 EP disclosed
EP-1638551-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP disclosed
US-7060697-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-13 US disclosed
EP-1638551-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-29 EP disclosed
US-20050014724-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-20 US disclosed
WO-2004103309-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 WO 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-20160251388-A1 SULFOXIDATION CATALYSTS AND METHODS FOR THEIR PREPARATION AND USE SMOX, TST, STS NPC1 4870/4885RAB9A 4167/4885ATM 2640/4885
US-20050014724-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 NPC1 2745/4885RAB9A 3413/4885ATM 3439/4885

“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.