SCHEMBL3055755

SCHEMBL3055755

COc1cc(CN2CCc3cc(S(N)(=O)=O)c(OC)cc3C2=O)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
WDR5 P61964 11/20 0.41
TNIK Q9UKE5 1/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38

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
SCHEMBL3052238 0.89 CA9 (0.47) P2RX3MEN1KMT2ACA2CA9
SCHEMBL3153291 0.87 GRM5 (0.52) P2RX3MEN1KMT2ACA2CA9
SCHEMBL3056820 0.84 WDR5 (0.46) MEN1KMT2AWDR5TNIKROCK2
SCHEMBL3055589 0.83 CA2 (0.44) P2RX3MEN1KMT2ACA2CA9
SCHEMBL3186155 0.81 GRM5 (0.45) P2RX3TNIKROCK2
SCHEMBL3046471 0.78 CA2 (0.60) MEN1KMT2ACA2CA9
SCHEMBL3048405 0.77 CA2 (0.58) P2RX3MEN1KMT2ACA2CA9
SCHEMBL24886247 0.76 WDR5 (0.46) KMT2AWDR5TNIKROCK2ROCK1
SCHEMBL3051781 0.76 PKM (0.48) P2RX3MEN1KMT2ACA2CA9
SCHEMBL3051832 0.76 CHRNA7 (0.53) MEN1KMT2ATNIK

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 7 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
EP-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC P2RX3 2536/4885MEN1 305/4885KMT2A 924/4885

“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.