SCHEMBL427963

SCHEMBL427963

O=S(=O)(c1cc[c]c(F)c1)N1CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP3A4 P08684 1/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 3/20 0.44
MCOLN3 Q8TDD5 2/20 0.44
THRB P10828 1/20 0.44
CASP3 P42574 1/20 0.43

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
SCHEMBL7309950 0.86 TSHR (0.57) ALDH1A1PKMSMN1; SMN2LMNAGAA
SCHEMBL421626 0.74 USP2 (0.63) ALDH1A1PKMUSP2LMNAHTT
SCHEMBL3810665 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAKDM4ETSHR
SCHEMBL424742 0.74 ALDH1A1 (0.60) ALDH1A1PKMSMN1; SMN2USP2LMNA
SCHEMBL27898439 0.73 USP2 (0.51) ALDH1A1SMN1; SMN2USP2LMNAHTT
SCHEMBL208149 0.72 MAPT (0.54) ALDH1A1SMN1; SMN2LMNAHTTCYP3A4
SCHEMBL4164080 0.72 USP2 (0.50) ALDH1A1SMN1; SMN2USP2LMNAHTT
SCHEMBL2041314 0.71 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2USP2LMNAHTT
SCHEMBL423283 0.71 MAPT (0.74) ALDH1A1PKMUSP2HTTMAPT
SCHEMBL1229961 0.71 USP2 (0.69) ALDH1A1PKMSMN1; SMN2USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 ALDH1A1 1098/4885PKM 156/4885SMN1; SMN2 3765/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 ALDH1A1 1098/4885PKM 156/4885SMN1; SMN2 3765/4885

“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.