SCHEMBL14057202

SCHEMBL14057202

C=CC(=O)NC1CC2CN(S(=O)(=O)c3ccc(NC(=O)c4cc5c(s4)CCCC5)cc3)CC2S1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ GPR55 Q9Y2T6 6/20 0.46
▸ CNR1 P21554 4/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 5/20 0.44
▸ HTT P42858 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PRNP P04156 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL14056524 0.98 MAPT (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14056526 0.88 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14058338 0.88 ALDH1A1 (0.53) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14056638 0.87 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14058107 0.87 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14057593 0.86 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14055782 0.85 TGM2 (0.45) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL14057469 0.85 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14056761 0.84 MAPT (0.51) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14056661 0.84 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889716-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2014-11-18 — — US disclosed
US-20120302539-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-11-29 — — 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-20120302539-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HTT, TGM2, GRN MAPT 31/4885ALDH1A1 3161/4885SMN1; SMN2 216/4885

“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.

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