SCHEMBL20141708

SCHEMBL20141708

Cc1ccccc1C(=O)O[C@@H]1O[C@H](Br)[C@@H](F)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ADRB2 P07550 2/20 0.36
▸ ADRB1 P08588 2/20 0.36
▸ ADRB3 P13945 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ LGALS3 P17931 2/20 0.36
▸ LGALS9 O00182 1/20 0.36
▸ LGALS1 P09382 1/20 0.36
▸ LGALS7; LGALS7B P47929 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LGALS4 P56470 1/20 0.35

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
SCHEMBL25400709 0.90 NPC1 (0.42) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL28758982 0.90 LGALS9 (0.41) LMNABCHELGALS3LGALS9LGALS1
SCHEMBL28562523 0.88 NPC1 (0.40) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL28427525 0.88 NPC1 (0.40) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL28400811 0.86 NPC1 (0.39) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL28716111 0.83 NPC1 (0.40) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL25401960 0.81 NPC1 (0.43) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL10062003 0.78 LGALS9 (0.40) LMNABCHELGALS3LGALS9LGALS1
SCHEMBL28426427 0.78 NPC1 (0.40) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL17560689 0.78 NPC1 (0.40) NPC1RAB9AMAPTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107859-A1 CYCLOPENTENE-OXYMETHYLENE PHOSPHONAMIDATES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ROME THERAPEUTICS, INC. (US) 2024-05-23 — — WO disclosed
US-20230374058-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. 2023-11-23 — — US disclosed
WO-2023178133-A9 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-10-26 — — WO disclosed
US-20230295212-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS INC (US) 2023-09-21 — — US disclosed
WO-2023178133-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-09-21 — — WO disclosed
CN-114008064-A Novel phosphate ester compound having pyrrolopyrimidine skeleton or pharmaceutically acceptable salt thereof 大鹏药品工业株式会社 2022-02-01 — — CN disclosed
CN-113993877-A Novel carbonate compound having pyrrolopyrimidine skeleton or pharmaceutically acceptable salt thereof 大鹏药品工业株式会社 2022-01-28 — — CN disclosed
WO-2018089786-A1 ATG7 INHIBITORS AND THE USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-17 — — 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 (2 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-20230295212-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 NPC1 1180/4885RAB9A 2105/4885MAPT 147/4885
US-20230374058-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 NPC1 1180/4885RAB9A 2105/4885MAPT 147/4885

“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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