SCHEMBL4835852

SCHEMBL4835852

CCOC(=O)c1csc(C(C)NC(=O)O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSP90AA1 P07900 1/20 0.47
MAPK1 P28482 1/20 0.47
PTPRB P23467 1/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL10425777 0.86 SMN1; SMN2 (0.67) ABCB1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL10426670 0.86 RAB9A (0.54) ABCB1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL1058980 0.85 ABCB1 (0.73) ABCB1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL27595388 0.85 ABCB1 (0.73) ABCB1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL13535505 0.85 ABCB1 (0.73) ABCB1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL2440072 0.84 RAB9A (0.60) ABCB1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL12548274 0.82 RAB9A (0.59) ABCB1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL4885031 0.82 L3MBTL1 (0.50) ABCB1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2174168 0.81 RAB9A (0.61) ABCB1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL12902789 0.81 RAB9A (0.57) ABCB1CYP1A2CYP2C19RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255109-A1 Non-peptide GnRH antagonists VANTIA, LTD 2008-10-16 US disclosed
US-7365065-B2 Non-peptide GnRH antagonists FERRING B.V. (NL) 2008-04-29 US disclosed
US-20050222139-A1 Non-peptide gnrh antagonists FERRING B.V. (NL) 2005-10-06 US disclosed
EP-1485356-A1 NON-PEPTIDE GnRH ANTAGONISTS Ferring BV (NL) 2004-12-15 EP disclosed
WO-2003078398-A1 NON-PEPTIDE GnRH ANTAGONISTS FERRING BV (NL) 2003-09-25 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 (2 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-20050222139-A1 Non-peptide gnrh antagonists GNRHR, BRS3, FSHR ABCB1 2259/4885CYP1A2 1395/4885CYP2C19 861/4885
US-20080255109-A1 Non-peptide GnRH antagonists GNRHR, BRS3, FSHR ABCB1 2268/4885CYP1A2 1432/4885CYP2C19 875/4885

“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.