SCHEMBL1847833

SCHEMBL1847833

O=S(=O)(c1ccccn1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
PKLR P30613 1/20 0.56
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
COMT P21964 1/20 0.48
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
KCNA5 P22460 1/20 0.44

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
SCHEMBL6616459 0.98 TSHR (0.56) PKMPKLRTSHRCYP3A4CYP2C9
SCHEMBL6559920 0.85 PKM (0.44) PKMPKLRTSHRCYP3A4CYP2C9
SCHEMBL4708071 0.84 PKM (0.59) PKMPKLRTSHRKDM4EALDH1A1
SCHEMBL12655896 0.84 PKM (0.52) PKMPKLRTSHRCYP3A4CYP2C9
SCHEMBL14040701 0.83 PKM (0.46) PKMPKLRTSHRCYP3A4CYP2C9
SCHEMBL24712032 0.82 PKM (0.50) PKMPKLRTSHRKDM4ENPC1
SCHEMBL2962440 0.82 ALDH1A1 (0.59) PKMPKLRALDH1A1GAASMN1; SMN2
SCHEMBL10272543 0.80 NPSR1 (0.52) PKMPKLRTSHRKDM4EALDH1A1
SCHEMBL5093011 0.80 PKM (0.43) PKMPKLRTSHRCYP3A4CYP2C9
SCHEMBL13341692 0.80 PKM (0.43) PKMPKLRTSHRCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321011-A1 DIARYL COMPOUNDS AND USES THEREOF Pfizer Inc. (US) 2011-05-18 EP disclosed
US-20100035873-A1 Diaryl Compounds and Uses Thereof PFIZER INC 2010-02-11 US disclosed
WO-2009156889-A1 DIARYL COMPOUNDS AND USES THEREOF PFIZER INC. (US) 2009-12-30 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 (1 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-20100035873-A1 Diaryl Compounds and Uses Thereof OPRK1, OPRD1, OPRL1 PKM 1372/4885PKLR 1190/4885TSHR 1012/4885

“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.