SCHEMBL22235398

SCHEMBL22235398

COC(=O)c1cc2c([nH]c1=O)-c1nc(OC)c3ccccc3c1CC2C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ TNKS O95271 2/20 0.33
▸ KDM4E B2RXH2 8/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ GABRA4 P48169 1/20 0.32
▸ GABRE P78334 1/20 0.32
▸ GABRA6 Q16445 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
SCHEMBL29728940 1.00 PDK2 (0.35) PDK2PDK4TNKSKDM4EALDH1A1
SCHEMBL22235484 0.92 ALDH1A1 (0.34) TNKSKDM4EALDH1A1HPGDCREBBP
SCHEMBL22235323 0.92 ALDH1A1 (0.34) TNKSKDM4EALDH1A1HPGDCREBBP
SCHEMBL29728936 0.92 ALDH1A1 (0.34) TNKSKDM4EALDH1A1HPGDCREBBP
SCHEMBL22235440 0.92 ALDH1A1 (0.34) TNKSKDM4EALDH1A1HPGDCREBBP
SCHEMBL22235354 0.75 KDM4E (0.38) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL22235343 0.74 GABRA1 (0.35) KDM4EALDH1A1HPGDNPSR1GABRA1
SCHEMBL22235409 0.74 GABRA1 (0.35) KDM4EALDH1A1HPGDNPSR1GABRA1
SCHEMBL22235514 0.74 GABRA1 (0.35) KDM4EALDH1A1HPGDNPSR1GABRA1
SCHEMBL29728904 0.74 GABRA1 (0.35) KDM4EALDH1A1HPGDNPSR1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220125771-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-04-28 — — US disclosed
CN-113825756-A Substituted polycyclic carboxylic acids, analogs thereof, and methods of use thereof 爱彼特生物制药公司 2021-12-21 — — CN 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 PDK2 427/4885PDK4 133/4885TNKS 2988/4885

“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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