SCHEMBL7066558

SCHEMBL7066558

O=C1N[C@@H](c2ccsc2)[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
ADORA2B P29275 15/20 0.37
CA2 P00918 1/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2112084 0.72 SMN1; SMN2 (0.45) CA2POLBSMN1; SMN2HSD17B10MEN1
SCHEMBL5521516 0.72 SMN1; SMN2 (0.45) CA2POLBSMN1; SMN2HSD17B10MEN1
SCHEMBL13811563 0.72 SMN1; SMN2 (0.45) CA2POLBSMN1; SMN2HSD17B10MEN1
SCHEMBL2112086 0.72 SMN1; SMN2 (0.45) CA2POLBSMN1; SMN2HSD17B10MEN1
SCHEMBL2112085 0.72 SMN1; SMN2 (0.45) CA2POLBSMN1; SMN2HSD17B10MEN1
SCHEMBL3075586 0.67 ALDH1A1 (0.51) PKMADORA2BALDH1A1POLBHSD17B10
SCHEMBL11428571 0.67 PKM (0.55) PKMADORA2BMCL1ALDH1A1
SCHEMBL8426250 0.67 ALDH1A1 (0.51) PKMADORA2BALDH1A1POLBHSD17B10
SCHEMBL13580146 0.67 ALDH1A1 (0.51) PKMADORA2BALDH1A1POLBHSD17B10
SCHEMBL8430355 0.66 KDM4E (0.32)

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
US-20030083497-A1 Taxoids, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA, S.A. 2003-05-01 US disclosed
US-6384071-B2 ANTITUMOR AGENTS AVENTIS PHARMA, S.A. (FR) 2002-05-07 US disclosed
US-20010021783-A1 New taxoids, their preparation and pharmaceutical compositions containing them Rhône-Poulenc Rorer S.A. 2001-09-13 US disclosed
US-6194582-B1 MULTI-DRUG RESISTANCE RHONE-POULENC RORER S.A. (FR) 2001-02-27 US disclosed
US-5939561-A Process for the preparation of β-phenylisoserine and β-lactam and their analogues RHONE-POULENCE RORER S.A. (FR) 1999-08-17 US disclosed
US-5814658-A Taxoids, their preparation and pharmaceutical compositions containing them RHONE-POULENC RORER S.A. (FR) 1998-09-29 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-20030083497-A1 Taxoids, their preparation and pharmaceutical compositions containing them TBXA2R, CBR1, CBR3 PKM 2695/4885ADORA2B 1044/4885CA2 3445/4885
US-20010021783-A1 New taxoids, their preparation and pharmaceutical compositions containing them CBR1, TBXA2R, CBR3 PKM 2502/4885ADORA2B 929/4885CA2 3700/4885

“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.