SCHEMBL17548458

SCHEMBL17548458

Cc1ccc(CSc2nc(C)c(C)c(=O)[nH]2)cc1C

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.69
TSHR P16473 3/20 0.69
LMNA P02545 2/20 0.69
GFER P55789 3/20 0.61
POLB P06746 1/20 0.55
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MMP13 P45452 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.46
ACMSD Q8TDX5 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
SCHEMBL3542449 0.82 LMNA (0.75) HPGDTSHRLMNAGFERPOLB
SCHEMBL17548460 0.77 ACMSD (0.74) HPGDTSHRLMNAGFERKDM4E
SCHEMBL12604482 0.72 RAB9A (0.67) HPGDTSHRLMNAGFERMEN1
SCHEMBL27765512 0.69 DAO (0.55) HPGDTSHRLMNAGFERPOLB
SCHEMBL17548459 0.69 HTT (0.41) TSHRLMNAGFERPOLBMEN1
SCHEMBL27787215 0.67 ALDH1A1 (0.57) HPGDLMNAGFERMEN1MAPT
SCHEMBL20828281 0.67 LMNA (0.74) TSHRLMNAMEN1MAPTKMT2A
SCHEMBL27765160 0.67 HPGD (0.60) HPGDTSHRLMNAGFERPOLB
SCHEMBL9879120 0.66 HTT (0.63) HPGDTSHRLMNAGFERMEN1
SCHEMBL23043967 0.65 ACMSD (0.64) HPGDLMNAGFERHTTACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362185-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2017-12-21 US disclosed
US-9708272-B2 Inhibitors of α-amino-β-carboxymuconic acid semialdehyde decarboxylase TES PHARMA S.R.L. (IT) 2017-07-18 US disclosed
US-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2016-03-03 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 (2 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-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 HPGD 59/4885TSHR 4829/4885LMNA 2315/4885
US-20170362185-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 HPGD 59/4885TSHR 4829/4885LMNA 2315/4885

“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.