SCHEMBL424742

SCHEMBL424742

O=S(=O)(c1ccc(F)c(F)c1)N1CCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
HTT P42858 2/20 0.60
CYP3A4 P08684 1/20 0.60
MITF O75030 1/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TSHR P16473 3/20 0.57
PKM P14618 4/20 0.57
USP2 O75604 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
GPBAR1 Q8TDU6 1/20 0.53
MCOLN3 Q8TDD5 2/20 0.51
PKLR P30613 1/20 0.51

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
SCHEMBL4555850 0.95 ALDH1A1 (0.68) ALDH1A1HTTCYP3A4MITFLMNA
SCHEMBL27345125 0.84 ATM (0.63) HTTLMNAGAATSHRPKM
SCHEMBL3300806 0.84 TSHR (0.75) ALDH1A1LMNAGAATSHRPKM
SCHEMBL30466345 0.84 ALDH1A1 (0.56) ALDH1A1HTTCYP3A4MITFLMNA
SCHEMBL29130948 0.84 HSD17B10 (0.57) ALDH1A1HTTCYP3A4MITFLMNA
SCHEMBL25275308 0.84 ALDH1A1 (0.56) ALDH1A1HTTCYP3A4MITFLMNA
SCHEMBL2249499 0.84 MAPT (0.63) ALDH1A1HTTCYP3A4MITFLMNA
SCHEMBL3024918 0.81 HSD17B10 (0.61) ALDH1A1HTTCYP3A4MITFLMNA
SCHEMBL15067563 0.81 ALDH1A1 (0.60) ALDH1A1HTTCYP3A4MITFLMNA
SCHEMBL10126570 0.80 RAB9A (0.66) ALDH1A1HTTCYP3A4MITFLMNA

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 7 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
CN-102015637-A Novel phenylpyrrole derivatives DAIICHI SANKYO CO LTD 2011-04-13 CN 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 1098/4885HTT 3088/4885CYP3A4 1133/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 ALDH1A1 1098/4885HTT 3088/4885CYP3A4 1133/4885

“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.