SCHEMBL23958699

SCHEMBL23958699

COc1cc(C(=O)O)cc2cc(C(F)(F)F)nnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA3 P07451 1/20 0.45
PKM P14618 1/20 0.45
CA5A P35218 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
PTGS2 P35354 1/20 0.43
TPMT P51580 2/20 0.41
CNR2 P34972 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 2/20 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
SCHEMBL23930088 0.88 NOTUM (0.43) CA12CA1CA2CA7CA9
SCHEMBL30007816 0.88 NOTUM (0.43) CA12CA1CA2CA7CA9
SCHEMBL30471201 0.88 TSHR (0.41) CA12CA1CA2CA4CA6
SCHEMBL23904735 0.81 CA12 (0.49) CA12CA1CA2CA4CA6
SCHEMBL23904745 0.80 CA12 (0.50) CA12CA1CA2CA4CA6
SCHEMBL23905795 0.80 CA12 (0.50) CA12CA1CA2CA4CA6
SCHEMBL23905777 0.78 CA12 (0.49) CA12CA1CA2CA4CA6
SCHEMBL23905556 0.78 CA12 (0.45) CA12CA1CA2CA4CA6
SCHEMBL30007760 0.78 CA12 (0.45) CA12CA1CA2CA4CA6
SCHEMBL25114044 0.77 CA12 (0.44) CA12CA1CA2CA4CA6

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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE CA12 2834/4885CA1 4415/4885CA2 1868/4885

“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.