SCHEMBL5520641

SCHEMBL5520641

COC(=O)c1sc(C(C)(C)C)nc1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAF1 P04049 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL164310 0.83 RAF1 (0.38) KMT2AMEN1RAF1KDM4EMAPT
SCHEMBL13494061 0.80 KMT2A (0.42) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL5528716 0.78 KMT2A (0.34) KMT2AMEN1RAF1MAPTSMN1; SMN2
SCHEMBL5558162 0.77 KMT2A (0.41) KMT2AMEN1RAF1KDM4EMAPT
SCHEMBL160229 0.76 CNR1 (0.50) KMT2AMEN1RAF1KDM4EMAPT
SCHEMBL5525822 0.74 ALDH1A1 (0.52) KMT2AMEN1KDM4EMAPTHSD17B10
SCHEMBL5524823 0.74 SHMT2 (0.33) KMT2AMEN1SMN1; SMN2CYP1A2CNR1
SCHEMBL5527718 0.72 SMN1; SMN2 (0.36) KMT2AMEN1RAF1TSHRSMN1; SMN2
SCHEMBL5525465 0.72 HCAR2 (0.35) KMT2AMEN1RAF1MAPTTSHR
SCHEMBL5522474 0.72 SMN1; SMN2 (0.37) KMT2AMEN1SMN1; SMN2CYP1A2NPC1

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 KMT2A 1024/4885MEN1 4532/4885RAF1 3222/4885

“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.