SCHEMBL3052271

SCHEMBL3052271

COc1cc2c(cc1S(N)(=O)=O)CCN(Cc1cccc(NC(C)=O)c1)C2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.60
KDM4E B2RXH2 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
MLNR O43193 1/20 0.49
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 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
SCHEMBL3052643 0.88 KDM4E (0.53) ABCB1KDM4ETDP1CA2CA9
SCHEMBL3050090 0.88 ABCB1 (0.66) ABCB1KDM4ETDP1TSHRMAPK1
SCHEMBL3049297 0.85 KDM4E (0.52) ABCB1KDM4ETDP1CA2CA9
SCHEMBL3059179 0.85 KDM4E (0.58) ABCB1KDM4ETDP1CA2CA9
SCHEMBL3052573 0.84 KDM4E (0.51) ABCB1KDM4ETDP1CA2CA9
SCHEMBL3060196 0.84 KDM4E (0.54) ABCB1KDM4ETDP1TSHRMAPK1
SCHEMBL3042196 0.84 DHCR7 (0.58) ABCB1KDM4ETDP1CA2CA9
SCHEMBL3059191 0.84 KDM4E (0.54) ABCB1KDM4ETDP1CA2CA9
SCHEMBL3061675 0.83 REV1 (0.61) ABCB1KDM4ETDP1CA2CA9
SCHEMBL3054744 0.83 KMT2A (0.57) ABCB1KDM4ETDP1CA2CA9

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 ABCB1 754/4885KDM4E 1083/4885TDP1 4235/4885

“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.