SCHEMBL130789

SCHEMBL130789

CC(C)(C)c1ccc(NCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NR1H4 Q96RI1 5/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
EPHX2 P34913 1/20 0.50
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
XBP1 P17861 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
KIF11 P52732 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL8227151 0.85 CA1 (0.50) SMN1; SMN2NR1H4CA1CA2EPHX2
SCHEMBL5692310 0.83 ALDH1A1 (0.44) SMN1; SMN2CA1CA2CA12NPC1
SCHEMBL12622715 0.83 VDR (0.50) SMN1; SMN2NR1H4CA1CA2EPHX2
SCHEMBL2054679 0.81 POLB (0.58) SMN1; SMN2NR1H4CA1CA2EPHX2
SCHEMBL28326346 0.81 CA1 (0.48) SMN1; SMN2NR1H4CA1CA2EPHX2
SCHEMBL28493929 0.81 LMNA (0.55) SMN1; SMN2NR1H4CA1CA2EPHX2
SCHEMBL951015 0.81 FFAR1 (0.58) CA1CA2EPHX2CA12CA7
SCHEMBL14065404 0.79 HDAC8 (0.50) NR1H4CA1CA2CA12HDAC3
SCHEMBL5958669 0.78 FFAR1 (0.44) SMN1; SMN2CA1CA2EPHX2CA12
SCHEMBL498570 0.78 ALDH1A1 (0.54) SMN1; SMN2CA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480485-B 1,2, 4-triaryl-1, 2, 4-triazoles compound and synthetic method thereof 甘肃农业大学 2023-04-07 CN claimed
CN-117362188-B Synthesis method of alpha-substituted deuterated amino acid ester 广州医科大学 2025-05-20 CN disclosed
CN-117362188-A Synthesis method of alpha-substituted deuterated amino acid ester 广州医科大学 2024-01-09 CN disclosed
CN-113480485-B 1,2, 4-triaryl-1, 2, 4-triazoles compound and synthetic method thereof 甘肃农业大学 2023-04-07 CN disclosed
US-20210121465-A1 FERROCHELATASE INHIBITORS AND METHODS OF USE GACHON UNIVERSITY OF INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2021-04-29 US disclosed
EP-3787630-A1 FERROCHELATASE INHIBITORS AND METHODS OF USE Indiana University Research and Technology Corporation (US) 2021-03-10 EP disclosed
WO-2016086015-A1 MYOGLOBIN-BASED CATALYSTS FOR CARBENE TRANSFER REACTIONS UNIVERSITY OF ROCHESTER (US) 2016-06-02 WO disclosed
EP-1542667-B1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2012-03-07 EP disclosed
EP-1542667-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-06-22 EP disclosed
WO-2004009558-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS, THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASES CAUSED BY SUCH MUTATIONS PTC THERAPEUTICS, INC. (US) 2004-01-29 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 (1 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-20210121465-A1 FERROCHELATASE INHIBITORS AND METHODS OF USE FECH, SLC40A1, TPI1 SMN1; SMN2 2465/4885NR1H4 1311/4885CA1 601/4885

“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.