SCHEMBL25830864

SCHEMBL25830864

COc1ccnc2ccc(S(N)(=O)=O)cc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.50
CA9 Q16790 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
RAF1 P04049 2/20 0.45
BRAF P15056 2/20 0.45
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
DOT1L Q8TEK3 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
GAA P10253 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
SCHEMBL26317970 0.86 GAK (0.64) GAKDOT1LPDGFRBPDGFRA
SCHEMBL20782542 0.82 DDR2 (0.55) KDM4EALDH1A1PTGS2PDGFRBPDGFRA
SCHEMBL30402132 0.79 PDGFRA (0.65) PDGFRBPDGFRA
SCHEMBL20782678 0.79 PDGFRA (0.65) PDGFRBPDGFRA
SCHEMBL23999580 0.78 CA9 (0.54) GAKCA9CA12CA1CA2
SCHEMBL2595325 0.78 CA9 (0.50) CA9CA12CA1CA2BRAF
SCHEMBL2589417 0.77 GAK (0.61) GAKCA9RAF1BRAF
SCHEMBL28173314 0.77 TAAR1 (0.43) CA9CA12CA1CA2BRAF
SCHEMBL20782583 0.76 AXL (0.54) PDGFRBPDGFRA
SCHEMBL24010756 0.75 DOT1L (0.48) KDM4EALDH1A1DOT1LPDGFRBPDGFRA

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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 (2 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR GAK 499/4885CA9 4253/4885CA12 4245/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA GAK 493/4885CA9 4125/4885CA12 4165/4885

“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.