SCHEMBL1015757

SCHEMBL1015757

Cc1cc(Br)ccc1COS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.40
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
EDNRB P24530 4/20 0.35
EDNRA P25101 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL14709471 0.83 SMN1; SMN2 (0.36) EDNRBEDNRAALDH1A1KDM4ELMNA
SCHEMBL4816671 0.81 AKR1B1 (0.42) PYCR1MEN1KMT2A
SCHEMBL5673837 0.81 PYCR1 (0.41) PYCR1CA1CA2KDM4ETSHR
SCHEMBL15414218 0.80 PYCR1 (0.44) PYCR1KDM4CALDH1A1MAPTTHRB
SCHEMBL2521711 0.78 HTR2A (0.38) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL18498917 0.78 L3MBTL1 (0.36) CA1CA2ALDH1A1LMNATSHR
SCHEMBL5316792 0.78 AKR1B1 (0.39) PYCR1MEN1KMT2A
SCHEMBL27715067 0.77 PYCR1 (0.46) PYCR1KDM5AKDM4CKDM5BALDH1A1
SCHEMBL15413756 0.77 LMNA (0.49) ALDH1A1MAPTTHRBKDM4ELMNA
SCHEMBL14709472 0.77 HTR1D (0.33) CA1CA2ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
CN-101573332-A Arylsulfonyl pyrrolidines as 5-HT6 inhibitors HOFFMANN LA ROCHE (CH) 2009-11-04 CN disclosed
EP-2081890-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-29 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors HTR6, HTR1B, HTR1F PYCR1 919/4885KDM5A 1171/4885KDM4C 1914/4885
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 PYCR1 1452/4885KDM5A 1564/4885KDM4C 1398/4885

“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.