SCHEMBL836780

SCHEMBL836780

COc1c(Cl)cccc1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.56
FABP5 Q01469 1/20 0.56
CXCL8 P10145 3/20 0.53
CAMK2A Q9UQM7 2/20 0.52
AKR1B1 P15121 2/20 0.52
KMT2A Q03164 1/20 0.51
PTGS2 P35354 3/20 0.50
TTR P02766 2/20 0.50
AKR1B10 O60218 1/20 0.50
UGT1A9 O60656 1/20 0.50
TRPA1 O75762 1/20 0.50
ABCB11 O95342 1/20 0.50
MT-CO2 P00403 1/20 0.50
ALB P02768 1/20 0.50
UGT1A6 P19224 1/20 0.50
UGT1A1 P22309 1/20 0.50
PTGS1 P23219 1/20 0.50
CXCR1 P25024 1/20 0.50
ADRA1A P35348 1/20 0.50
AGTR2 P50052 1/20 0.50

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
SCHEMBL9079419 0.87 AKR1B1 (0.52) FABP4FABP5CXCL8AKR1B1KMT2A
SCHEMBL10864328 0.86 ALDH1A1 (0.43) FABP4FABP5CAMK2AAKR1B1KMT2A
SCHEMBL27403679 0.86 ALDH1A1 (0.43) FABP4FABP5CXCL8CAMK2AAKR1B1
SCHEMBL4685083 0.85 ALDH1A1 (0.42) FABP4FABP5CXCL8CAMK2AAKR1B1
SCHEMBL4685087 0.85 ALDH1A1 (0.42) FABP4FABP5CAMK2AKMT2AADRA1A
SCHEMBL11120421 0.84 CXCL8 (0.71) FABP4FABP5CXCL8CAMK2AAKR1B1
SCHEMBL7293717 0.83 KMT2A (0.49) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL11122067 0.82 MMP2 (0.51) FABP4FABP5CXCL8CAMK2AAKR1B1
SCHEMBL12477045 0.82 PTGDR2 (0.47) FABP4FABP5CXCL8AKR1B1PTGS2
SCHEMBL31075841 0.81 NLRP3 (0.47) KMT2ATTRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250213555-A1 SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-07-03 US disclosed
WO-2025090465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-05-01 WO disclosed
WO-2025090480-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-05-01 WO disclosed
EP-4347583-A1 SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
CN-117794918-A Substituted tetrahydrofuran analogues as sodium channel modulators 沃泰克斯药物股份有限公司 2024-03-29 CN disclosed
WO-2022256676-A1 SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed
WO-2022256676-A1 SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
EP-2272848-A1 Xanthine derivatives as selective HM74A agonists Glaxosmithkline LLC (US) 2011-01-12 EP disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed
EP-1912991-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
EP-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
WO-2007017261-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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 (4 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-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 FABP4 3006/4885FABP5 2786/4885CXCL8 1726/4885
US-20250213555-A1 SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS TRPV1, SCN1A, TRPA1 FABP4 2642/4885FABP5 1896/4885CXCL8 3611/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH FABP4 3405/4885FABP5 3053/4885CXCL8 1714/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 FABP4 3083/4885FABP5 2771/4885CXCL8 1794/4885

“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.