SCHEMBL22235343

SCHEMBL22235343

COc1nc2c(c3ccccc13)CC(C(C)(C)C)c1cc(C(=O)O)c(=O)n(C)c1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.35
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA3 P34903 3/20 0.35
▸ GABRA2 P47869 2/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ KDM4E B2RXH2 6/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ DHODH Q02127 2/20 0.32
▸ MAPT P10636 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ HTR3A P46098 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
SCHEMBL22235409 1.00 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29728904 1.00 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL22235514 1.00 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL22235426 0.87 KDM4E (0.32) KDM4EALDH1A1HPGDDHODHMAPT
SCHEMBL29728931 0.87 KDM4E (0.32) KDM4EALDH1A1HPGDDHODHMAPT
SCHEMBL22235748 0.87 KDM4E (0.32) KDM4EALDH1A1HPGDDHODHMAPT
SCHEMBL22235429 0.87 KDM4E (0.32) KDM4EALDH1A1HPGDDHODHMAPT
SCHEMBL22236137 0.81 GABRG2 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL22235484 0.80 ALDH1A1 (0.34) KDM4EALDH1A1HPGDALOX15NPC1
SCHEMBL22235323 0.80 ALDH1A1 (0.34) KDM4EALDH1A1HPGDALOX15NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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

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 GABRA1 1663/4885GABRG2 2687/4885GABRB3 2399/4885

“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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