SCHEMBL106736

SCHEMBL106736

CCOC(=O)c1occc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
PLK1 P53350 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
AHR P35869 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40

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
SCHEMBL1257007 0.81 MAPT (0.50) TSHRPLK1MAPTKDM4ENPC1
SCHEMBL28479419 0.80 TSHR (0.46) TSHRPLK1MAPTKDM4ENPC1
SCHEMBL19084410 0.80 TSHR (0.46) TSHRPLK1MAPTKDM4ENPC1
SCHEMBL17223287 0.80 TSHR (0.55) TSHRMAPTKDM4ENPC1RAB9A
SCHEMBL2417181 0.79 CHRNB2 (0.41) TSHRMAPTKDM4ECA12CA1
SCHEMBL11666132 0.79 PLK1 (0.48) TSHRPLK1MAPTKDM4ENPC1
SCHEMBL6336946 0.79 TSHR (0.44) TSHRPLK1MAPTKDM4ENPC1
SCHEMBL12559200 0.79 ALDH1A1 (0.50) TSHRPLK1MAPTKDM4ENPC1
SCHEMBL19066808 0.77 TSHR (0.43) TSHRPLK1MAPTKDM4ENPC1
SCHEMBL15819569 0.77 TSHR (0.47) TSHRMAPTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197381-A1 SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-19 US disclosed
WO-2025090480-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-05-01 WO disclosed
US-12247021-B2 Substituted tetrahydrofurans as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-03-11 US disclosed
EP-4506001-A2 SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2025-02-12 EP disclosed
US-20240391907-A1 SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-11-28 US disclosed
CN-114945566-B Substituted tetrahydrofurans as sodium channel modulators 沃泰克斯药物股份有限公司 2024-11-12 CN disclosed
EP-4069691-B1 SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2024-09-18 EP disclosed
US-11919887-B2 Substituted tetrahydrofurans as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-03-05 US disclosed
US-11834441-B2 Substituted tetrahydrofurans as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-12-05 US disclosed
US-11834441-B2 Substituted tetrahydrofurans as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-12-05 US disclosed
EP-1700856-A1 THIAZOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-13 EP disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
CN-1628111-A 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO (JP) 2005-06-15 CN disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
EP-1388534-A2 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors Allergan, Inc. (US) 2004-02-11 EP disclosed
US-6403638-B1 COMPOUND FOR USE IN TREATING SKIN DISEASES AND DISORDERS, AND FOR TREATING HYPERVITAMINOSIS A SYNDROME ALLERGAN SALES, INC. 2002-06-11 US disclosed
WO-2001070662-A2 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN , INC. (US) 2001-09-27 WO disclosed
EP-1117628-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS Allergan Sales, Inc. (US) 2001-07-25 EP disclosed
US-6147224-A 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors ALLERGAN SALES, INC. (US) 2000-11-14 US disclosed
WO-2000020370-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN SALES, INC. (US) 2000-04-13 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 (6 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-12247021-B2 Substituted tetrahydrofurans as modulators of sodium channels TRPV1, TRPA1, SCN2B TSHR 3554/4885PLK1 3755/4885MAPT 1738/4885
US-11834441-B2 Substituted tetrahydrofurans as modulators of sodium channels TRPV1, TRPA1, SCN2B TSHR 3554/4885PLK1 3755/4885MAPT 1738/4885
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 TSHR 82/4885PLK1 4869/4885MAPT 4833/4885
US-20240391907-A1 SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS TRPV1, TRPA1, SCN2B TSHR 3554/4885PLK1 3755/4885MAPT 1738/4885
US-11919887-B2 Substituted tetrahydrofurans as modulators of sodium channels TRPV1, TRPA1, SCN2B TSHR 3554/4885PLK1 3755/4885MAPT 1738/4885
US-20250197381-A1 SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS TRPV1, TRPA1, SCN2B TSHR 3554/4885PLK1 3755/4885MAPT 1738/4885

“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.