SCHEMBL25811437

SCHEMBL25811437

CC1=C(C)C(S(=O)(=O)c2ccccc2)c2ccc(C=O)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 3/20 0.35
UNG P13051 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TTR P02766 1/20 0.31
PSIP1 O75475 1/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PTGS2 P35354 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL25812882 0.83 ELANE (0.39) ALDH1A1CA1CA2CA9MAPT
SCHEMBL25812739 0.81 NAT1 (0.38) NAT1ALDH1A1CA12CA1CA2
SCHEMBL25811432 0.80 HTR6 (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL25811421 0.76 PTGS2 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL16383945 0.66 ELANE (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL2538638 0.62 HTR6 (0.56) NAT1UNGALDH1A1CA12CA1
SCHEMBL11735462 0.61 PSIP1 (0.52) NAT1UNGALDH1A1CA12CA1
SCHEMBL2324277 0.61 ALDH1A1 (0.43) ALDH1A1TTRKMT2ACYP2A6KDM4E
SCHEMBL41941 0.60 CA12 (0.47) NAT1UNGALDH1A1CA12CA1
SCHEMBL30402657 0.60 CA12 (0.47) NAT1UNGALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES GALYAN BIO INC (US) 2023-07-13 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 (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-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES HTT, HYPK, PARK7 NAT1 127/4885UNG 1687/4885ALDH1A1 4430/4885

“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.