SCHEMBL22236064

SCHEMBL22236064

CC(C)(C)C1CC(=O)c2nc(Cl)c3ccccc3c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL22236262 0.81 TP53 (0.37) TP53HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL24357492 0.73 MAPT (0.60) TP53HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL22259734 0.68 SMN1; SMN2 (0.41) TP53HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL22235460 0.65 — —
SCHEMBL22259781 0.65 MEN1 (0.36) TP53HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL22235748 0.65 KDM4E (0.32) HPGDHSD17B10SMN1; SMN2MAPTMEN1
SCHEMBL2763289 0.62 ACHE (0.58) TP53HSD17B10SMN1; SMN2MAPTMAPK1
SCHEMBL10192260 0.58 ADRA2A (0.41) TP53HPGDHSD17B10NPSR1
SCHEMBL22259795 0.57 MAPT (0.57) TP53HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL19393174 0.57 IDO1 (0.41) SMN1; SMN2MAPTNPSR1MAPK1MEN1

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 TP53 205/4885HPGD 774/4885HSD17B10 228/4885

“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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