SCHEMBL3940654

SCHEMBL3940654

CN(Cc1ccc(F)cc1)C(=O)[C@@H](OC(=O)NC(C)(C)C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
RIPK1 Q13546 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
TACR1 P25103 1/20 0.41
KLK7 P49862 2/20 0.41
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4788119 1.00 TDP1 (0.59) TDP1KMT2AMEN1RIPK1LMNA
SCHEMBL27652976 0.92 HPGD (0.47) TDP1KMT2AMEN1RIPK1LMNA
SCHEMBL3933947 0.82 TDP1 (0.66) TDP1KMT2AMEN1RIPK1LMNA
SCHEMBL3217995 0.80 TXNRD1 (0.39) KMT2AMEN1LMNA
SCHEMBL27812611 0.78 CHRM5 (0.41) TDP1ALDH1A1KLK7
SCHEMBL4788125 0.76 TDP1 (0.59) TDP1KMT2AMEN1LMNA
SCHEMBL4941179 0.76 TDP1 (0.59) TDP1KMT2AMEN1LMNA
SCHEMBL9501912 0.74 HPGD (0.54) TDP1KMT2AMEN1LMNAALDH1A1
SCHEMBL14046234 0.73 TDP1 (0.71) TDP1KMT2AMEN1RIPK1LMNA
SCHEMBL4933726 0.73 TDP1 (0.74) TDP1KMT2AMEN1RIPK1LMNA

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
WO-2009014674-A1 HETEROCYCLYLAMIDES AS GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO 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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 TDP1 2015/4885KMT2A 2256/4885MEN1 3927/4885

“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.