SCHEMBL15466862

SCHEMBL15466862

Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](CO)C[C@@H](C3)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.49
POLB P06746 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.47
ESR1 P03372 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MDM2 Q00987 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
YAP1 P46937 1/20 0.46
TEAD4 Q15561 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL15471055 1.00 PKM (0.49) PKMPOLBALDH1A1HTTTSHR
SCHEMBL15466863 1.00 PKM (0.49) PKMPOLBALDH1A1HTTTSHR
SCHEMBL21510171 0.88 PKM (0.54) PKMPOLBALDH1A1HTTTSHR
SCHEMBL23997508 0.82 PKM (0.60) PKMPOLBALDH1A1HTTTSHR
SCHEMBL7464192 0.81 CYP3A4 (0.64) PKMPOLBALDH1A1HTTKMT2A
SCHEMBL2474562 0.80 ALDH1A1 (0.62) PKMPOLBALDH1A1HTTKMT2A
SCHEMBL15466439 0.79 POLB (0.56) PKMPOLBALDH1A1HTTTSHR
SCHEMBL4108239 0.78 ALDH1A1 (0.67) PKMPOLBALDH1A1HTTKMT2A
SCHEMBL29657316 0.77 PKM (0.61) PKMPOLBALDH1A1HTTTSHR
SCHEMBL31629999 0.77 PKM (0.61) PKMPOLBALDH1A1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 US claimed
US-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 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 (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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION ALPI, SI, SLC5A11 PKM 2874/4885POLB 1433/4885ALDH1A1 1864/4885

“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.