SCHEMBL12189227

SCHEMBL12189227

CCc1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.71
GAA P10253 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TSHR P16473 2/20 0.60
MAPK1 P28482 1/20 0.60
RECQL P46063 1/20 0.60
HTT P42858 1/20 0.60
LMNA P02545 1/20 0.60
HSD11B1 P28845 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
GLA P06280 1/20 0.58
THRB P10828 1/20 0.57

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
SCHEMBL12646347 0.98 USP2 (0.68) USP2GAANPSR1ALDH1A1L3MBTL1
SCHEMBL4480464 0.95 ALDH1A1 (0.63) USP2GAANPSR1ALDH1A1L3MBTL1
SCHEMBL4555722 0.86 USP2 (0.67) USP2GAANPSR1L3MBTL1MEN1
SCHEMBL12189230 0.84 SMN1; SMN2 (0.78) USP2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15010487 0.84 USP2 (0.63) USP2GAANPSR1ALDH1A1L3MBTL1
SCHEMBL16111102 0.83 KMT2A (0.63) USP2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28254939 0.83 USP2 (0.67) USP2GAANPSR1ALDH1A1L3MBTL1
SCHEMBL7904262 0.83 ALDH1A1 (0.70) USP2GAAALDH1A1L3MBTL1MEN1
SCHEMBL12075773 0.83 MAPT (0.63) USP2ALDH1A1L3MBTL1LMNAHSD11B1
SCHEMBL5018987 0.82 USP2 (0.71) USP2GAANPSR1ALDH1A1L3MBTL1

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-8318733-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-27 US disclosed
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 US disclosed
US-7956052-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-07 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 US disclosed
US-7659268-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 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 (5 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R USP2 4091/4885GAA 2722/4885NPSR1 18/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R USP2 3944/4885GAA 4105/4885NPSR1 11/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 USP2 3550/4885GAA 3040/4885NPSR1 4181/4885
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 USP2 1700/4885GAA 2856/4885NPSR1 4582/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 USP2 3129/4885GAA 347/4885NPSR1 3420/4885

“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.