SCHEMBL3046503

SCHEMBL3046503

COc1cc2c(cc1S(N)(=O)=O)CCN(S(=O)(=O)c1ccccc1C#N)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.58
CA7 P43166 1/20 0.53
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AKR1C3 P42330 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
PDE4B Q07343 2/20 0.42
PDE4D Q08499 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3054790 0.88 PKM (0.60) PKMCA7ALDH1A1SMN1; SMN2MEN1
SCHEMBL3059012 0.88 CA7 (0.59) PKMCA7ALDH1A1SMN1; SMN2MEN1
SCHEMBL3054856 0.83 AKR1C3 (0.56) PKMCA7ALDH1A1SMN1; SMN2AKR1C3
SCHEMBL3056399 0.82 PKM (0.54) PKMCA7ALDH1A1SMN1; SMN2MEN1
SCHEMBL3049341 0.82 CA1 (0.51) PKMCA7ALDH1A1SMN1; SMN2MEN1
SCHEMBL3051585 0.78 PKM (0.80) PKMCA7ALDH1A1SMN1; SMN2AKR1C3
SCHEMBL3062381 0.78 PKM (0.61) PKMCA7ALDH1A1SMN1; SMN2AKR1C3
SCHEMBL3055914 0.78 AKR1C3 (0.60) PKMCA7ALDH1A1SMN1; SMN2AKR1C3
SCHEMBL3062438 0.77 AKR1C3 (0.59) PKMCA7ALDH1A1SMN1; SMN2MEN1
SCHEMBL3062599 0.76 CA7 (0.56) PKMCA7ALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US claimed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
EP-2155192-B1 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LTD (GB) 2016-09-28 EP disclosed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC PKM 3021/4885CA7 966/4885ALDH1A1 1517/4885

“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.