SCHEMBL14057010

SCHEMBL14057010

C=CC(=O)NC1(C)CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ EGFR P00533 5/20 0.47
▸ PIK3CA P42336 5/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ F13A1 P00488 9/20 0.46
▸ TGM2 P21980 9/20 0.46
▸ TGM1 P22735 9/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ HCRTR1 O43613 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TGM3 Q08188 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ RCOR1 Q9UKL0 1/20 0.43
▸ CHRNA7 P36544 1/20 0.42
▸ HTR3A P46098 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
SCHEMBL14055363 0.82 TGM2 (0.58) F13A1TGM2TGM1
SCHEMBL14056636 0.82 MMP2 (0.47) MMP2MMP14EGFRPIK3CANPC1
SCHEMBL14057050 0.82 F13A1 (0.48) SMN1; SMN2F13A1TGM2TGM1MEN1
SCHEMBL14056049 0.82 F13A1 (0.47) LMNASMN1; SMN2F13A1TGM2TGM1
SCHEMBL14056716 0.81 TGM2 (0.60) MMP2MMP14NPC1RAB9ALMNA
SCHEMBL14054678 0.81 MAPT (0.54) MMP2MMP14NPC1RAB9ALMNA
SCHEMBL14055348 0.80 NPC1 (0.50) MMP2MMP14EGFRPIK3CANPC1
SCHEMBL14057024 0.80 TGM2 (0.57) MMP2MMP14EGFRPIK3CANPC1
SCHEMBL14056518 0.80 TGM2 (0.55) F13A1TGM2TGM1
SCHEMBL14054701 0.79 MMP2 (0.47) MMP2MMP14EGFRPIK3CANPC1

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 MMP2 616/4885MMP14 673/4885EGFR 1580/4885

“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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