Sugi Predict

Sugi Predict / Compounds / SCHEMBL879006

SCHEMBL879006

SCHEMBL879006

CC(C)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 1/20 0.45
▸ PDE2A O00408 8/20 0.43
▸ OGA O60502 2/20 0.40
▸ CTNNB1 P35222 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ ACACB O00763 2/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ CACNA1C Q13936 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
SCHEMBL879072 0.88 KIF11 (0.37) GPR55PDE2AOGAACACBKIF11
SCHEMBL4547924 0.86 LMNA (0.35) GPR55PDE2AOGALMNATRPA1
SCHEMBL30687097 0.85 PDE2A (0.44) GPR55PDE2AOGACTNNB1WNT3A
SCHEMBL6336282 0.85 GPR55 (0.43) GPR55PDE2AOGACTNNB1WNT3A
SCHEMBL3669583 0.85 GPR55 (0.43) GPR55PDE2AOGACTNNB1WNT3A
SCHEMBL24494541 0.85 GPR55 (0.43) GPR55PDE2AOGACTNNB1WNT3A
SCHEMBL17541572 0.85 PDE2A (0.44) GPR55PDE2AOGACTNNB1WNT3A
SCHEMBL20559520 0.85 GPR55 (0.43) GPR55PDE2AOGACTNNB1WNT3A
SCHEMBL21710318 0.85 GPR55 (0.35) GPR55PDE2AOGANPC1RAB9A
SCHEMBL26923489 0.85 GPR55 (0.43) GPR55PDE2AOGACTNNB1WNT3A

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 187 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 — — US disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 — — US disclosed
WO-2024126117-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2024-06-20 — — WO disclosed
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2024-01-25 — — US disclosed
WO-2023240267-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2023-12-14 — — WO disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 — — US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 — — US disclosed
WO-2023200441-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-19 — — WO disclosed
WO-2023196454-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-12 — — WO disclosed
WO-2023183520-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER A2A PHARMACEUTICALS, INC. (US) 2023-09-28 — — WO disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
CN-1325457-C Preparation of fluorinated acetophenones BAYER CHEMICALS AG (DE) 2007-07-11 — — CN disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
WO-2007062342-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
US-7148384-B2 Preparation of fluorinated acetophenones BAYER AKTIENGESELLSCHAFT (DE) 2006-12-12 — — US disclosed
US-20050043559-A1 Preparation of fluorinated acetophenones LANXESS DEUTSCHLAND GMBH (DE) 2005-02-24 — — US disclosed
CN-1572763-A Preparation of fluorinated acetophenones BAYER CHEMICALS AG (DE) 2005-02-02 — — CN disclosed
EP-1489064-A1 Preparation of fluorinated acetophenones Bayer Chemicals AG (DE) 2004-12-22 — — EP disclosed
EP-0084128-B1 PROCESS FOR THE PREPARATION OF ALKYLBENZENES SUBSTITUTED BY RADICALS CONTAINING FLUORINE BAYER AG (DE) 1987-01-21 — — EP 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 (7 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GPR55 1892/4885PDE2A 2430/4885OGA 1562/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GPR55 1892/4885PDE2A 2430/4885OGA 1562/4885
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors UGDH, PGD, PNPO GPR55 2065/4885PDE2A 1028/4885OGA 53/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GPR55 1892/4885PDE2A 2430/4885OGA 1562/4885
US-20050043559-A1 Preparation of fluorinated acetophenones GNPAT, HNF4A, FAH GPR55 1821/4885PDE2A 3903/4885OGA 2006/4885
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 GPR55 2056/4885PDE2A 2224/4885OGA 1702/4885
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A GPR55 3659/4885PDE2A 3543/4885OGA 3107/4885

“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.