SCHEMBL11080778

SCHEMBL11080778

COc1ccc(CC2(C(F)F)NC(=O)NC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MMP2 P08253 9/20 0.50
MMP9 P14780 9/20 0.50
MMP8 P22894 8/20 0.50
MMP13 P45452 6/20 0.50
LMNA P02545 2/20 0.46
CMA1 P23946 1/20 0.37
MMP3 P08254 1/20 0.36
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36
HTT P42858 1/20 0.36
LDHA P00338 1/20 0.36

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
SCHEMBL542639 0.76 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL5443745 0.75 MMP2 (0.70) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL14945768 0.74 SMN1; SMN2 (0.48) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL10021371 0.74 ALDH1A1 (0.43) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL11607926 0.74 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL14935352 0.72 SMN1; SMN2 (0.49) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL11604698 0.71 SMN1; SMN2 (0.58) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL10522886 0.70 ADAM17 (0.72) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL17360671 0.68 MMP2 (0.47) SMN1; SMN2NPSR1MMP2MMP9MMP8
SCHEMBL17294160 0.68 MMP2 (0.53) SMN1; SMN2NPSR1MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162902-B2 Decarboxylase inhibitors for treating Parkinson's disease SAIL BIOMEDICINES (US) 2024-12-10 US disclosed
US-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME SENDA BIOSCIENCES INC (US) 2023-06-15 US disclosed
US-20220048849-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE SENDA BIOSCIENCES, INC. 2022-02-17 US disclosed
EP-3891122-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE Senda Biosciences, Inc. (US) 2021-10-13 EP disclosed
WO-2020118163-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE KINTAI THERAPEUTICS, INC. (US) 2020-06-11 WO disclosed
US-4483870-A α-Difluoromethyl amino acids and hypertension treating compositions thereof MERCK & CO., INC. (US) 1984-11-20 US disclosed
EP-0007600-B1 ALPHA-DIFLUOROMETHYL AMINO ACIDS AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME MERCK & CO. INC. (US) 1983-05-11 EP disclosed
EP-0007600-A1 Alpha-difluoromethyl amino acids and pharmaceutical composition containing the same MERCK & CO. INC. (US) 1980-02-06 EP 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-12162902-B2 Decarboxylase inhibitors for treating Parkinson's disease DDC, DDT, DDO SMN1; SMN2 983/4885NPSR1 3434/4885MMP2 922/4885
US-20220048849-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE DDC, DDT, DDO SMN1; SMN2 983/4885NPSR1 3434/4885MMP2 922/4885
US-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME COMT, SNCA, PARK7 SMN1; SMN2 151/4885NPSR1 2149/4885MMP2 1168/4885

“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.