SCHEMBL642859

SCHEMBL642859

COc1cc(S(C)(=O)=O)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 4/20 0.49
HPGD P15428 2/20 0.49
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
STAT6 P42226 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL10745009 0.86 SMN1; SMN2 (0.54) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL987275 0.86 LMNA (0.60) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL28242926 0.86 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDPPARGPPARA
SCHEMBL6831947 0.85 SMN1; SMN2 (0.53) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL10721854 0.85 SMN1; SMN2 (0.53) ALDH1A1LMNASMN1; SMN2KDM4ETSHR
SCHEMBL12505411 0.85 SMN1; SMN2 (0.53) ALDH1A1LMNASMN1; SMN2KDM4ETSHR
SCHEMBL1050258 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDPPARGPPARA
SCHEMBL751534 0.85 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EHPGDPPARG
SCHEMBL10669297 0.82 MAPT (0.60) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL7282910 0.81 HPGDS (0.50) LMNASMN1; SMN2TSHRMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492372-B2 Modulators of dopamine neurotransmission INTEGRATED RESEARCH LABORATORIES SWEDEN AB (SE) 2013-07-23 US disclosed
US-8119630-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2012-02-21 US disclosed
EP-2271638-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2011-08-31 EP disclosed
US-20110112065-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-12 US disclosed
EP-2271638-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
US-20110003852-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC 2011-01-06 US disclosed
US-20110003856-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC 2011-01-06 US disclosed
EP-2146952-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE High Point Pharmaceuticals, LLC (US) 2010-01-27 EP disclosed
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them ARROW THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
EP-2125704-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE High Point Pharmaceuticals, LLC (US) 2009-12-02 EP disclosed
WO-2009133110-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 WO disclosed
US-7582624-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2009-09-01 US disclosed
WO-2008101886-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC (US) 2008-08-28 WO disclosed
WO-2008101885-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC (US) 2008-08-28 WO disclosed
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2006-02-23 US disclosed
EP-1539716-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Arrow Therapeutics Limited (GB) 2005-06-15 EP disclosed
WO-2004026843-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARROW THERAPEUTICS LIMITED (GB) 2004-04-01 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 (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-20110003856-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD17B1 ALDH1A1 116/4885LMNA 2046/4885SMN1; SMN2 3239/4885
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them GABRA6, CNR1, SIGMAR1 ALDH1A1 2127/4885LMNA 1425/4885SMN1; SMN2 1791/4885
US-20110112065-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION SLC18A2, SYNGR2, DBH ALDH1A1 1170/4885LMNA 4708/4885SMN1; SMN2 622/4885
US-20110003852-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD17B1 ALDH1A1 116/4885LMNA 2046/4885SMN1; SMN2 3239/4885
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them GABRA6, CNR1, SIGMAR1 ALDH1A1 1931/4885LMNA 1262/4885SMN1; SMN2 1484/4885

“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.