SCHEMBL3060002

SCHEMBL3060002

[CH2]Cc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.39
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK10 P53779 1/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31
NR3C2 P08235 1/20 0.30

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
SCHEMBL7453984 0.82 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KDM4ENPC1GALR3
SCHEMBL13319989 0.81 CA2 (0.47) APLNROPRK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5479553 0.79 APLNR (0.39) APLNROPRK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2598795 0.78 HRH3 (0.50) APLNROPRK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL5689764 0.76 CA2 (0.48) APLNROPRK1KDM4ENPC1GALR3
SCHEMBL13886412 0.73 ALDH1A1 (0.38) APLNROPRK1ALDH1A1POLB
SCHEMBL12994623 0.73 MAPT (0.48) ALDH1A1MEN1KMT2ATSHRMAPK1
SCHEMBL1899321 0.71 CA2 (0.40) ALDH1A1SMN1; SMN2TSHRTDP1MAPK10
SCHEMBL3030207 0.71 TDP1 (0.48) ALDH1A1KDM4EMEN1KMT2ACYP3A4
SCHEMBL1334344 0.71 ENPP2 (0.50) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A

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-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
EP-2108019-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094575-A2 1-H-PYRAZOLO(3,4B)PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 APLNR 3491/4885OPRK1 939/4885ALDH1A1 741/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B APLNR 4788/4885OPRK1 1095/4885ALDH1A1 4286/4885

“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.