SCHEMBL5551871

SCHEMBL5551871

CCc1nc(CC(=O)N2CCN(C)CC2)c(C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
PTGS2 P35354 2/20 0.39
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
PIK3CD O00329 6/20 0.35
PIK3CB P42338 6/20 0.35
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL5558508 0.89 SMN1; SMN2 (0.40) MAPTPTGS2TSHRPIK3CDPIK3CB
SCHEMBL5552970 0.88 SMN1; SMN2 (0.45) MAPTPTGS2TSHRPIK3CDPIK3CB
SCHEMBL5556178 0.85 L3MBTL1 (0.39) TSHRLMNAPIK3CDPIK3CBMEN1
SCHEMBL5556851 0.83 DTYMK (0.38) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL5520342 0.81 MAPT (0.39) MAPTPTGS2TSHRLMNAPIK3CD
SCHEMBL10265374 0.79 KDM1A (0.38) LMNAPIK3CDPIK3CBCYP3A4L3MBTL1
SCHEMBL9642917 0.75 RAB9A (0.40) MAPTTSHRMEN1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL9528440 0.73 RAB9A (0.39) TSHRMEN1L3MBTL1SMN1; SMN2POLB
SCHEMBL5553132 0.71 KMT2A (0.48) MAPTTSHRLMNAMEN1L3MBTL1
SCHEMBL5557908 0.71 KMT2A (0.45) MAPTTSHRLMNAMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 MAPT 2190/4885PTGS2 2353/4885TSHR 3395/4885

“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.