SCHEMBL3527283

SCHEMBL3527283

CCOC(=O)CC(=O)C1CC(F)(F)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EPHX2 P34913 10/20 0.38
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL28719372 0.84 GAA (0.50) MGAMGAASIMGAM2TRPA1
SCHEMBL1016647 0.83 MGAM (0.38) MGAMGAASIMGAM2EPHX2
SCHEMBL4778475 0.81 MGAM (0.47) MGAMGAASIMGAM2TRPA1
SCHEMBL3528154 0.80 GAA (0.50) MGAMGAASIMGAM2TRPA1
SCHEMBL1014646 0.79 GAA (0.58) MGAMGAASIMGAM2TRPA1
SCHEMBL422879 0.77 MAPT (0.46) ALDH1A1
SCHEMBL26696634 0.76 MGAM (0.45) MGAMGAASIMGAM2TRPA1
SCHEMBL1617817 0.76 GAA (0.54) MGAMGAASIMGAM2TRPA1
SCHEMBL2005270 0.76 GAA (0.54) MGAMGAASIMGAM2TRPA1
SCHEMBL13097057 0.74 APLNR (0.37) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
CN-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 CN disclosed
EP-4511116-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
US-11548849-B2 Alcohol derivatives as KV7 potassium channel openers H. LUNDBECK A/S (DK) 2023-01-10 US disclosed
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
WO-2015165933-A2 6-SUBSTITUTED IMIDAZO[1,2-A]PYRAZINECARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-11-05 WO disclosed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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 (5 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-11548849-B2 Alcohol derivatives as KV7 potassium channel openers KCNA7, KCNK17, KCNAB1 MGAM 4281/4885GAA 3021/4885SI 3336/4885
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK MGAM 2303/4885GAA 1777/4885SI 572/4885
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 MGAM 3800/4885GAA 932/4885SI 2901/4885
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 MGAM 2075/4885GAA 2764/4885SI 502/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 MGAM 3800/4885GAA 932/4885SI 2901/4885

“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.