SCHEMBL5365043

SCHEMBL5365043

CC(=O)O[C@@H]1CN[C@H](COc2ccc(C(=O)O)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 4/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
RARB P10826 4/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SRD5A2 P31213 1/20 0.38
PLA2G4A P47712 1/20 0.38

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
SCHEMBL6959947 1.00 PLA2G4B (0.42) PLA2G4BTSHRTP53RXRARXRB
SCHEMBL6956321 0.88 MAPT (0.47) TSHRMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL6207542 0.88 MAPT (0.47) TSHRMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL5155354 0.88 MAPT (0.47) TSHRMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL14263801 0.87 PLA2G4B (0.43) PLA2G4BTSHRTP53RXRARXRB
SCHEMBL92405 0.80 PKM (0.44) PLA2G4BTSHRTP53RXRARXRB
SCHEMBL5155472 0.76 MAPT (0.50) TSHRMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL13437398 0.74 KMT2A (0.50) TP53HSD17B10RAB9A
SCHEMBL2433389 0.74 MAPT (0.53) TSHRNPC1POLBRAB9ASMN1; SMN2
SCHEMBL2433390 0.74 MAPT (0.53) TSHRNPC1POLBRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 PLA2G4B 1285/4885TSHR 1243/4885TP53 3952/4885

“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.