SCHEMBL5528018

SCHEMBL5528018

CCOC(=O)c1sc(C(C)(C)C)nc1COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.52
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
CDC7 O00311 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
TSHR P16473 1/20 0.44
MAPK10 P53779 1/20 0.44
DHODH Q02127 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
CSNK1D P48730 1/20 0.43

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
SCHEMBL5527563 0.86 RAB9A (0.43) MAPTALDH1A1KDM4EGAAPOLB
SCHEMBL5522717 0.85 CSNK1D (0.54) PTPN11MAPTALDH1A1HPGDCDC7
SCHEMBL2691309 0.84 PTPN11 (0.55) PTPN11MAPTALDH1A1HPGDKDM4E
SCHEMBL5556687 0.83 PTPN11 (0.54) PTPN11MAPTALDH1A1HPGDKDM4E
SCHEMBL5520453 0.81 ALDH1A1 (0.49) PTPN11MAPTALDH1A1HPGDKDM4E
SCHEMBL5520496 0.80 PTPN11 (0.48) PTPN11MAPTALDH1A1HPGDKDM4E
SCHEMBL5525822 0.79 ALDH1A1 (0.52) PTPN11MAPTALDH1A1HPGDKDM4E
SCHEMBL5528919 0.79 TRPM8 (0.55) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL5522703 0.77 PTPN11 (0.46) PTPN11MAPTALDH1A1HPGDKDM4E
SCHEMBL5520493 0.77 ALDH1A1 (0.46) PTPN11MAPTALDH1A1HPGDKDM4E

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 PTPN11 2363/4885MAPT 2190/4885ALDH1A1 2042/4885

“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.