SCHEMBL26567167

SCHEMBL26567167

CNS(=O)(=O)c1cc(Cl)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
ALPL P05186 2/20 0.51
ACLY P53396 1/20 0.49
CCR2 P41597 4/20 0.47
CNR1 P21554 3/20 0.46
MCL1 Q07820 3/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CNR2 P34972 2/20 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
SCHEMBL10153817 0.82 SMN1; SMN2 (0.48) CCR2LMNAALDH1A1SGK1
SCHEMBL2372705 0.82 MCL1 (0.62) CA12CA1CA2CA3CA4
SCHEMBL1790814 0.81 CNR1 (0.51) ALPLACLYCCR2CNR1MCL1
SCHEMBL11512517 0.81 MCL1 (0.61) CA12CA1CA2CA3CA4
SCHEMBL11512510 0.81 MCL1 (0.61) CA12CA1CA2CA3CA4
SCHEMBL26413808 0.81 GAA (0.48) HPGDTSHRLMNAALDH1A1SGK1
SCHEMBL1805587 0.79 ALOX5AP (0.41) CA12CA1CA2CA3CA4
SCHEMBL6130536 0.79 CA12 (0.50) CA12CA1CA2CA3CA4
SCHEMBL31429890 0.79 MAPT (0.45) CA12CA1CA2CA3CA4
SCHEMBL6835906 0.79 P2RX1 (0.54) CA12CA1CA2CA3CA4

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-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 US disclosed
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 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-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same XBP1, ERN1, ERN2 CA12 4857/4885CA1 4671/4885CA2 4128/4885

“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.