SCHEMBL22235322

SCHEMBL22235322

COc1cccc2c1nc1n2CC(C(C)(C)C)c2c-1[nH]c(=O)c(C(=O)O)c2O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ APLNR P35414 8/20 0.34
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32
▸ TUBB2A Q13885 1/20 0.32
▸ TUBB8 Q3ZCM7 1/20 0.32
▸ TUBA3E Q6PEY2 1/20 0.32

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
SCHEMBL24357743 0.92 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1APLNRTUBB4A
SCHEMBL22235388 0.90 KCNH2 (0.35) —
SCHEMBL22235381 0.90 KCNH2 (0.35) —
SCHEMBL22236089 0.90 KCNH2 (0.35) —
SCHEMBL22235497 0.81 APLNR (0.38) APLNRCA12CA1CA2CA7
SCHEMBL22236085 0.81 CYP1A1 (0.36) CYP1A1CYP1A2CYP1B1CA12CA1
SCHEMBL22235344 0.81 APLNR (0.38) APLNRCA12CA1CA2CA7
SCHEMBL29728934 0.81 APLNR (0.38) APLNRCA12CA1CA2CA7
SCHEMBL22235496 0.74 APLNR (0.35) APLNR
SCHEMBL22235477 0.74 APLNR (0.35) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911653-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-11-24 — — EP claimed
WO-2020150366-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-07-23 — — WO claimed
US-20220125771-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-04-28 — — US disclosed
US-20220125771-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-04-28 — — US disclosed
EP-3911653-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-11-24 — — EP disclosed
WO-2020150366-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-07-23 — — 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-20220125771-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, HDGF CYP1A1 1507/4885CYP1A2 1416/4885CYP1B1 1819/4885

“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.

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