SCHEMBL1805850

SCHEMBL1805850

O=S(=O)(c1ccc(N=C=S)cc1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
GAA P10253 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 1/20 0.54
APOBEC3G Q9HC16 1/20 0.52
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MAPT P10636 4/20 0.49
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL4077489 0.86 POLB (0.63) POLBLMNASMN1; SMN2GAAKMT2A
SCHEMBL2913521 0.84 USP2 (0.65) POLBLMNASMN1; SMN2GAAKMT2A
SCHEMBL5725656 0.82 ATM (0.58) POLBLMNASMN1; SMN2KMT2AMEN1
SCHEMBL12793245 0.82 POLB (0.88) POLBLMNASMN1; SMN2GAAKMT2A
SCHEMBL12793258 0.77 POLB (1.00) POLBLMNASMN1; SMN2GAAKMT2A
SCHEMBL15544302 0.77 TSHR (0.41) POLBLMNASMN1; SMN2GAAKMT2A
SCHEMBL6117914 0.75 KDM4E (0.62) POLBLMNAGAAKMT2AMEN1
SCHEMBL12793270 0.75 POLB (0.96) POLBLMNASMN1; SMN2GAAKMT2A
SCHEMBL28072234 0.75 POLB (0.76) POLBLMNASMN1; SMN2GAAKMT2A
SCHEMBL8871272 0.75 POLB (0.76) POLBLMNASMN1; SMN2GAAKMT2A

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
US-8497371-B2 Pipemidic acid derivative autotaxin inhibitors UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION (US) 2013-07-30 US disclosed
US-20120100592-A1 PIPEMIDIC ACID DERIVATIVE AUTOTAXIN INHIBITORS THE UNIVERSITY OF MEMPHIS 2012-04-26 US disclosed
WO-2011053597-A1 PIPEMIDIC ACID DERIVATIVE AUTOTAXIN INHIBITORS THE UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION (US) 2011-05-05 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-20120100592-A1 PIPEMIDIC ACID DERIVATIVE AUTOTAXIN INHIBITORS ENPP2, PLA2G6, PLA2G10 POLB 2710/4885LMNA 1624/4885SMN1; SMN2 3521/4885

“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.