SCHEMBL3051374

SCHEMBL3051374

COc1cc2c(cc1S(N)(=O)=O)CCN(S(=O)(=O)c1cccc(CC(=O)O)c1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.41
CPT1A P50416 3/20 0.40
CPT1B Q92523 3/20 0.40
PTGER2 P43116 1/20 0.39
AKR1C3 P42330 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3050420 0.91 MMP1 (0.44) PTGDR2CPT1ACPT1BPTGER2AKR1C3
SCHEMBL3059281 0.85 CHRNA7 (0.46) PTGDR2PTGER2AKR1C3PDE4APDE4B
SCHEMBL3059107 0.84 CYP11B1 (0.48) PTGER2CA2CA9PDE4APDE4B
SCHEMBL3049285 0.83 MMP2 (0.44) CA2CA9PDE4APDE4BPDE4C
SCHEMBL3051781 0.79 PKM (0.48) CA2CA9PDE4APDE4BPDE4C
SCHEMBL3052392 0.78 TSHR (0.47) CA2CA9PDE4APDE4BPDE4C
SCHEMBL3153291 0.75 GRM5 (0.52) CA2CA9MAPTALDH1A1LMNA
SCHEMBL3052679 0.75 CYP11B1 (0.51) PTGER2AKR1C3PDE4APDE4BPDE4C
SCHEMBL3051277 0.74 MMP2 (0.46) AKR1C3CA2CA9PDE4APDE4B
SCHEMBL3051148 0.73 CHRNA7 (0.48) PTGER2PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGDR2 512/4885CPT1A 157/4885CPT1B 1480/4885

“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.