SCHEMBL1243722

SCHEMBL1243722

COc1cc([C@H](O)C(=O)O)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 1.00
BLM P54132 2/20 1.00
NPSR1 Q6W5P4 1/20 1.00
CYP3A4 P08684 1/20 0.58
NFKB1 P19838 1/20 0.57
PMP22 Q01453 1/20 0.55
GAA P10253 2/20 0.55
HTT P42858 1/20 0.54
FOLH1 Q04609 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
SLC22A8 Q8TCC7 1/20 0.51
RAB9A P51151 1/20 0.51
BCHE P06276 2/20 0.51
TYR P14679 2/20 0.51
ACHE P22303 2/20 0.51
SLC22A3 O75751 1/20 0.51

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
SCHEMBL140947 1.00 TSHR (1.00) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL134326 1.00 TSHR (1.00) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL10085823 1.00 TSHR (1.00) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL28717780 0.98 TSHR (0.97) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL10784788 0.98 TSHR (0.97) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL20566321 0.95 BLM (0.91) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL9065486 0.94 TSHR (0.88) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL20566322 0.91 TSHR (0.83) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL29395159 0.89 TSHR (0.79) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL503700 0.86 NPSR1 (0.76) TSHRBLMNPSR1CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024127352-A1 FORMULATION COMPRISING VANILLOID POLYPHENOLS SUPPORTED ON LAMELLAR SOLIDS TO REDUCE PLASMA CGRP LEVELS AND ITS APPLICATIONS PROLABIN & TEFARM S.R.L. (IT) 2024-06-20 WO claimed
US-20240398771-A1 TREATMENT OF SCLERODERMA AND RAYNAUD'S SYNDROME AISA PHARMA, INC. 2024-12-05 US disclosed
CN-114354938-B Vanilla mandelic acid homogeneous enzyme immunoassay reagent based on brominated derivatives and preparation method thereof 苏州博源医疗科技有限公司 2024-11-29 CN disclosed
US-20240366582-A1 TREATMENT OF RAYNAUD'S DISEASE AISA PHARMA, INC. 2024-11-07 US disclosed
US-20240358692-A1 TREATMENT OF SCLERODERMA AISA PHARMA, INC. 2024-10-31 US disclosed
US-20240358693-A1 METHODS OF TREATING PAIN AISA PHARMA, INC. 2024-10-31 US disclosed
WO-2024127352-A1 FORMULATION COMPRISING VANILLOID POLYPHENOLS SUPPORTED ON LAMELLAR SOLIDS TO REDUCE PLASMA CGRP LEVELS AND ITS APPLICATIONS PROLABIN & TEFARM S.R.L. (IT) 2024-06-20 WO disclosed
US-11841373-B2 Information processing apparatus, method for controlling information processing apparatus, and program CANON KABUSHIKI KAISHA (JP) 2023-12-12 US disclosed
CN-117092263-A Free catecholamine and metabolite detection kit, determination method and application 合肥歆智医疗器械有限公司 2023-11-21 CN disclosed
CN-115746320-B Synthesis method and application of lanthanide series metal organic framework material Eu-MOF 浙江省人民医院 2023-08-08 CN disclosed
US-20110045069-A1 PRECURSOR COMPOUNDS OF SWEET TASTE RECEPTOR ANTAGONISTS FOR THE PREVENTION OR TREATMENT OF DISEASE SYMRISE GMBH CO. KG (DE) 2011-02-24 US disclosed
US-6921758-B2 Amino acid derivatives ASTRAZENECA AB (SE) 2005-07-26 US disclosed
US-20040087647-A1 NEW AMINO ACID DERIVATIVES ASTRAZENECA AB 2004-05-06 US disclosed
US-6617320-B2 Protease inhibitor; anticoagulants ASTRAZENECA AB (SE) 2003-09-09 US disclosed
EP-0836615-B1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE ASTRAZENECA AB (SE) 2003-04-23 EP disclosed
US-20020042396-A1 Amino acid derivatives ASTRA AB 2002-04-11 US disclosed
US-6337343-B1 TREATMENT OF THROMBOSIS WITH ANTICOAGULANTS ASTRAZENECA AB (SE) 2002-01-08 US disclosed
US-6051568-A Thrombin inhibitors, their preparation and use ASTRA AKTIEBOLAG (SE) 2000-04-18 US disclosed
EP-0836615-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE Astra Aktiebolag (SE) 1998-04-22 EP disclosed
WO-1997002284-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE ASTRA AKTIEBOLAG (SE) 1997-01-23 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 (3 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-20020042396-A1 Amino acid derivatives F2, SERPINC1, ARGLU1 TSHR 543/4885BLM 2731/4885NPSR1 361/4885
US-20040087647-A1 NEW AMINO ACID DERIVATIVES F2, ANPEP, PEPD TSHR 956/4885BLM 3526/4885NPSR1 309/4885
US-20110045069-A1 PRECURSOR COMPOUNDS OF SWEET TASTE RECEPTOR ANTAGONISTS FOR THE PREVENTION OR TREATMENT OF DISEASE TAS1R2, TAS2R5, TAS2R1 TSHR 73/4885BLM 4717/4885NPSR1 183/4885

“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.