SCHEMBL2988685

SCHEMBL2988685

CC1CCCCN1S(=O)(=O)c1ccc(-c2ccnc(S(C)(=O)=O)n2)s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MMP8 P22894 4/20 0.39
MMP3 P08254 3/20 0.39
AKR1C3 P42330 3/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP7 P09237 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2984187 0.77 BRAF (0.43) ALOX15PSEN1PSEN2APH1BNCSTN
SCHEMBL2986503 0.76 MAPT (0.54) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2980393 0.75 MMP3 (0.35) ALOX15MMP8MMP3AKR1C3ALDH1A1
SCHEMBL2986658 0.75 BRAF (0.45) ALOX15PSEN1PSEN2APH1BNCSTN
SCHEMBL7421078 0.72 GABRA1 (0.39) MMP8MMP3PKM
SCHEMBL5147487 0.72 ALOX15 (0.34) ALOX15MMP8MMP3AKR1C3ALDH1A1
SCHEMBL2986562 0.71 HPGD (0.37) ALOX15MMP8MMP3ALDH1A1MMP1
SCHEMBL2198268 0.70 MAPT (0.51) PKM
SCHEMBL2198259 0.67 KDM4E (0.38) ALOX15ALDH1A1HTTL3MBTL1LMNA
SCHEMBL2194363 0.67 LOXL2 (0.47) MMP8MMP3ALDH1A1HTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 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 (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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 ALOX15 1377/4885PSEN1 1292/4885PSEN2 1325/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ALOX15 1377/4885PSEN1 1292/4885PSEN2 1325/4885

“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.