SCHEMBL31722992

SCHEMBL31722992

O=S(=O)(Oc1cc(OS(=O)(=O)C(F)(F)F)c2ccccc2c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL27404562 0.92 ADORA2A (0.38) ADORA2AADORA1CA1CA2CA9
SCHEMBL30064889 0.91 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1408383 0.91 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28211609 0.87 ADORA2A (0.34) ADORA2AADORA1CA1CA2TUBB4A
SCHEMBL6937631 0.85 GPR84 (0.45) ADORA2AADORA1CA1CA2CA9
SCHEMBL19617287 0.85 TDP1 (0.35) CA1CA2CA9TUBB4ATUBB
SCHEMBL2656359 0.84 NQO2 (0.43) ADORA2AADORA1HSD11B1KDM4EALDH1A1
SCHEMBL15998741 0.84 HTT (0.39) ADORA2AADORA1CA1CA2CA9
SCHEMBL30064989 0.84 NQO2 (0.43) ADORA2AADORA1HSD11B1KDM4EALDH1A1
SCHEMBL19959255 0.84 CYP1A2 (0.43) ADORA2AADORA1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12466842-B2 Substituted pyrido [4,3-d]pyrimidines as KRAS modulators ALTEROME THERAPEUTICS, INC. (US) 2025-11-11 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-12466842-B2 Substituted pyrido [4,3-d]pyrimidines as KRAS modulators KRAS, NRAS, HRAS ADORA2A 2882/4885ADORA1 3051/4885CA1 4864/4885

“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.