SCHEMBL991083

SCHEMBL991083

C[C@@H](O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.55
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
PDE2A O00408 4/20 0.50
ACP3 P15309 1/20 0.44
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
KIF11 P52732 1/20 0.43
MGLL Q99685 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
HSD11B1 P28845 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL5451341 1.00 PTPN5 (0.55) PTPN5CES2CES1PDE2AACP3
SCHEMBL342466 1.00 PTPN5 (0.55) PTPN5CES2CES1PDE2AACP3
SCHEMBL2276065 0.94 PTPN5 (0.64) PTPN5CES2CES1PDE2AKIF11
SCHEMBL2276063 0.94 PTPN5 (0.64) PTPN5CES2CES1PDE2AKIF11
SCHEMBL2276059 0.94 PTPN5 (0.64) PTPN5CES2CES1PDE2AKIF11
SCHEMBL11125737 0.88 PTPN5 (0.46) PTPN5CES2CES1PDE2AAKR1C3
SCHEMBL28611305 0.85 TRPV1 (0.49) PTPN5CES2CES1PDE2A
SCHEMBL30521586 0.84 PTPN5 (0.53) PTPN5CES2CES1PDE2AHSD11B1
SCHEMBL18290606 0.84 PTPN5 (0.53) PTPN5CES2CES1PDE2ANOS3
SCHEMBL9668161 0.82 PDE2A (0.56) PTPN5CES2CES1PDE2AACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113584090-B Biological preparation method of chemokine CCR 5 antagonist AD101 chiral intermediate 浙江工业大学 2024-07-19 CN claimed
EP-4709725-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Progentos Therapeutics, Inc. (US) 2026-03-18 EP disclosed
EP-3962602-B1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LTD (GB) 2025-06-25 EP disclosed
WO-2024233642-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PROGENTOS THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
CN-113584090-B Biological preparation method of chemokine CCR 5 antagonist AD101 chiral intermediate 浙江工业大学 2024-07-19 CN disclosed
CN-113584090-B Biological preparation method of chemokine CCR 5 antagonist AD101 chiral intermediate 浙江工业大学 2024-07-19 CN disclosed
US-11925651-B2 TEAD inhibitors and uses thereof Ikena Oncology, Inc. (US) 2024-03-12 US disclosed
US-20240010606-A1 FUMARATE DERIVATIVES AND THEIR MEDICAL USE SITRYX THERAPEUTICS LIMITED (GB) 2024-01-11 US disclosed
US-20230399287-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 US disclosed
US-20230399287-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions MERCK & CO., INC. 2007-10-18 US disclosed
CN-1894213-A Substituted tetrahydrocarbazole and cyclopentanoindole derivatives MERCK & CO INC (CA) 2007-01-10 CN disclosed
EP-1697322-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CYCLOPENTANOINDOLE DERIVATIVES Merck Frosst Canada Ltd. (CA) 2006-09-06 EP disclosed
US-7019022-B2 Substituted tetrahydrocarbazole and cyclopentanoindole derivatives MERCK FROSST CANADA & CO. (CA) 2006-03-28 US disclosed
EP-1624871-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS AND PHARMACEUTICAL COMPOSITIONS Merck & Co., Inc. (a New Jersey corp.) (US) 2006-02-15 EP disclosed
US-20050154044-A1 Substituted tetrahydrocarbazole and cyclopentanoindole derivatives MERCK FROSST CANADA LTD. (CA) 2005-07-14 US disclosed
WO-2005056527-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CYCLOPENTANOINDOLE DERIVATIVES MERCK FROSST CANADA LTD. (CA) 2005-06-23 WO disclosed
WO-2004103370-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS AND PHARMACEUTICAL COMPOSITIONS MERCK & CO., INC. (US) 2004-12-02 WO disclosed
US-20040229844-A1 Method of treating atherosclerosis, dyslipidemias and related conditions CHENG KANG (US) 2004-11-18 US 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-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 PTPN5 2980/4885CES2 1206/4885CES1 200/4885
US-11925651-B2 TEAD inhibitors and uses thereof TEAD2, TEAD3, TEAD4 PTPN5 1125/4885CES2 790/4885CES1 640/4885
US-20230399287-A1 NOVEL COMPOUNDS CNKSR1, RORC, HLA-DRB1 PTPN5 2124/4885CES2 3187/4885CES1 570/4885
US-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions LDLR, LIPA, APOB PTPN5 2022/4885CES2 1521/4885CES1 227/4885
US-20050154044-A1 Substituted tetrahydrocarbazole and cyclopentanoindole derivatives PTGIR, PTGDR, PTGDR2 PTPN5 4202/4885CES2 3574/4885CES1 3230/4885
US-20040229844-A1 Method of treating atherosclerosis, dyslipidemias and related conditions LDLR, HCAR1, FFAR1 PTPN5 1849/4885CES2 995/4885CES1 325/4885
US-20240010606-A1 FUMARATE DERIVATIVES AND THEIR MEDICAL USE FH, SUCNR1, ARG2 PTPN5 3653/4885CES2 4024/4885CES1 877/4885

“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.