SCHEMBL5746764

SCHEMBL5746764

c1csc([C]2CCCOCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
PRKDC P78527 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ICMT O60725 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
RPS6KB2 Q9UBS0 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 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
SCHEMBL498605 0.82 LTA4H (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1608227 0.80 LTA4H (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL497607 0.77
SCHEMBL1607048 0.71 RPS6KB2 (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
Fluoride SCHEMBL491501 0.67 L3MBTL1 (0.55) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL27238090 0.65 RPS6KB2 (0.41) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7135870 0.65 MAPT (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL667254 0.65 KDM4E (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
Tetrahydrofuran SCHEMBL7246325 0.64 HTT (0.40) NPC1RAB9AMEN1KMT2AALDH1A1
Tetrahydrofuran SCHEMBL29066948 0.64 HTT (0.40) NPC1RAB9AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615885-A1 B -FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS Warner-Lambert Company LLC (US) 2006-01-18 EP disclosed
EP-1615886-A1 [C]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS Warner-Lambert Company LLC (US) 2006-01-18 EP disclosed
US-20050143427-A1 [B]-fused bicyclic proline derivatives and their use for treating arthritic conditions BARVIAN NICOLE C (US) 2005-06-30 US disclosed
US-20050137215-A1 [C]-fused bicyclic proline derivatives and their use for treating arthritic conditions GUZZO PETER R (US) 2005-06-23 US disclosed
WO-2004092132-A1 [B]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
WO-2004092134-A1 [C]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 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-20050143427-A1 [B]-fused bicyclic proline derivatives and their use for treating arthritic conditions PRAP1, PRR12, PPIB NPC1 2752/4885RAB9A 1016/4885MEN1 4845/4885
US-20050137215-A1 [C]-fused bicyclic proline derivatives and their use for treating arthritic conditions PPIC, PRAP1, PRRC2C NPC1 2355/4885RAB9A 1161/4885MEN1 4840/4885

“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.