SCHEMBL22236085

SCHEMBL22236085

COc1cccc2c1nc1n2CC(C(C)(C)C)c2cc(C(=O)O)c(=O)[nH]c2-1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP1B1 Q16678 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ DHODH Q02127 3/20 0.35
▸ HCRTR1 O43613 3/20 0.33
▸ HCRTR2 O43614 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TNKS O95271 2/20 0.32
▸ TNKS2 Q9H2K2 2/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 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
SCHEMBL22235544 0.90 KCNH2 (0.36) HCRTR1HCRTR2POLB
SCHEMBL22235424 0.90 KCNH2 (0.36) HCRTR1HCRTR2POLB
SCHEMBL22235412 0.90 KCNH2 (0.36) HCRTR1HCRTR2POLB
SCHEMBL22235322 0.81 CYP1A1 (0.36) CYP1A1CYP1A2CYP1B1TNKSTNKS2
SCHEMBL22235615 0.75 KCNH2 (0.33) CYP1A1CYP1A2CYP1B1
SCHEMBL24357019 0.73 KDM4E (0.32) DHODHKDM4EALDH1A1POLBGAA
SCHEMBL22235388 0.72 KCNH2 (0.35) HCRTR1HCRTR2POLB
SCHEMBL22236089 0.72 KCNH2 (0.35) HCRTR1HCRTR2POLB
SCHEMBL22235381 0.72 KCNH2 (0.35) HCRTR1HCRTR2POLB
SCHEMBL22236144 0.68 CASR (0.36) CYP1A1CYP1A2CYP1B1PDE10AHCRTR1

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.

Send feedback