SCHEMBL14056901

SCHEMBL14056901

C=CC(=O)NC1CC2CCN(S(=O)(=O)c3ccc(NC(=O)c4cc5c(s4)CCC5)cc3)CC2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.48
▸ MAPT P10636 6/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GPR55 Q9Y2T6 6/20 0.45
▸ HPGD P15428 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ LMNA P02545 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CNR1 P21554 4/20 0.44
▸ POLB P06746 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ TGM2 P21980 3/20 0.42
▸ PRNP P04156 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 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
SCHEMBL14056697 0.98 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AGPR55
SCHEMBL14057336 0.94 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AGPR55
SCHEMBL14056661 0.92 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AGPR55
SCHEMBL14055900 0.85 TGM2 (0.46) MAPTMEN1KMT2AHSD17B10LMNA
SCHEMBL14058208 0.85 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AGPR55
SCHEMBL14056320 0.85 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AGPR55
SCHEMBL14056357 0.84 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AGPR55
SCHEMBL14057593 0.84 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AGPR55
SCHEMBL14056889 0.84 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AGPR55
SCHEMBL14056065 0.83 TGM2 (0.50) ALDH1A1MAPTMEN1KMT2AGPR55

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 ALDH1A1 3161/4885MAPT 31/4885MEN1 2032/4885

“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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