SCHEMBL5100623

SCHEMBL5100623

C[C@H](NC(=O)c1ccc(C(=O)O)c(Br)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
PRSS12 P56730 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.41
APLNR P35414 3/20 0.41
PRCP P42785 4/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
GRIK1 P39086 1/20 0.38
MAPK1 P28482 1/20 0.38
B3GNT2 Q9NY97 1/20 0.38

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
SCHEMBL5100614 1.00 L3MBTL1 (0.48) L3MBTL1PRSS12TDP1KDM4ELMNA
SCHEMBL5096849 0.90 L3MBTL1 (0.50) L3MBTL1PRSS12TDP1KDM4ELMNA
SCHEMBL5096847 0.90 L3MBTL1 (0.50) L3MBTL1PRSS12TDP1KDM4ELMNA
SCHEMBL5101081 0.86 L3MBTL1 (0.47) L3MBTL1PRSS12TDP1KDM4ELMNA
SCHEMBL5101086 0.86 L3MBTL1 (0.47) L3MBTL1PRSS12TDP1KDM4ELMNA
SCHEMBL5097196 0.86 TDP1 (0.46) L3MBTL1PRSS12TDP1KDM4ELMNA
SCHEMBL5100187 0.86 TDP1 (0.44) L3MBTL1PRSS12TDP1KDM4ELMNA
SCHEMBL14277108 0.86 TDP1 (0.46) L3MBTL1PRSS12TDP1KDM4ELMNA
SCHEMBL6526024 0.83 L3MBTL1 (0.55) L3MBTL1TDP1KDM4ELMNAALDH1A1
SCHEMBL6533170 0.83 L3MBTL1 (0.55) L3MBTL1TDP1KDM4ELMNAALDH1A1

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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 L3MBTL1 4590/4885PRSS12 2712/4885TDP1 1525/4885

“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.