SCHEMBL11566779

SCHEMBL11566779

CSc1cccc(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.62
BCHE P06276 5/20 0.54
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
MAOA P21397 1/20 0.53
NR4A2 P43354 1/20 0.53
ALOX5 P09917 1/20 0.51
LCK P06239 1/20 0.50
NSD2 O96028 1/20 0.49
ABL1 P00519 1/20 0.49
PPARG P37231 1/20 0.49
RIN1 Q13671 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
GRM5 P41594 1/20 0.48
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCND1 P24385 1/20 0.48

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
SCHEMBL3175420 0.86 MAOB (0.61) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL22964333 0.85 NOS3 (0.51) MAOBMAOA
SCHEMBL22964319 0.83 GAA (0.48) MAOBMAOAALOX5PPARG
SCHEMBL22964284 0.83 NOS1 (0.47) MAOBBCHE
SCHEMBL11566776 0.83 MAOB (0.57) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL22964334 0.82 MAPK1 (0.53) MAOA
SCHEMBL31187444 0.81 SPHK2 (0.59) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL1268719 0.81 MAOB (0.81) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL23639432 0.80 LMNA (0.60) MAOBBCHEMAOANR4A2ALOX5
SCHEMBL388096 0.80 LMNA (0.60) MAOBBCHEMAOANR4A2ALOX5

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021222542-A1 5-AMINO-2-PIPERIDINON-3-YL-1-OXOISOINDOLINE DERIVATIVES FOR DEGRADATION OF IKZF2 DEGRADERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-04 WO disclosed
US-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 US disclosed
US-20210040072-A1 NTCP Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-02-11 US disclosed
US-8372888-B2 Sphingosine kinase type 1 inhibitors, compositions and processes for using same ENZO THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-8372888-B2 Sphingosine kinase type 1 inhibitors, compositions and processes for using same ENZO THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 US disclosed
US-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 US disclosed
US-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-05-05 US disclosed
US-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-05-05 US disclosed
US-7915315-B2 Benzocycloheptyl analogs having sphingosine 1-phosphate receptor activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-03-29 US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
WO-2009023854-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-19 WO disclosed
WO-2008064337-A2 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-29 WO disclosed
WO-2008064320-A2 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-29 WO disclosed
WO-2008064315-A1 TETRALIN ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-29 WO disclosed
US-4165316-A Process for preparing sulfinyl chlorides from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4165315-A CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 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 (4 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-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY S1PR1, S1PR3, S1PR2 MAOB 4297/4885BCHE 4653/4885CYP4F2 3583/4885
US-20210040072-A1 NTCP Inhibitors HAVCR2, NPC1, HMGCR MAOB 4651/4885BCHE 862/4885CYP4F2 1389/4885
US-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE SPHK2, SPHK1, S1PR2 MAOB 2216/4885BCHE 3589/4885CYP4F2 4079/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR MAOB 4651/4885BCHE 862/4885CYP4F2 1389/4885

“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.