SCHEMBL3752257

SCHEMBL3752257

O=C(NC1(C(=O)O)CC1)c1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
CXCR5 P32302 5/20 0.55
KCNK3 O14649 2/20 0.51
KCNK9 Q9NPC2 2/20 0.51
PTGS1 P23219 1/20 0.48
PPIA P62937 1/20 0.46
PTPRC P08575 1/20 0.45
FABP4 P15090 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
P2RX7 Q99572 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
F2R P25116 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
SCHEMBL3308725 0.87 CXCR5 (0.71) LMNAGAACXCR5
SCHEMBL8082632 0.87 LMNA (0.55) LMNAGAACXCR5KCNK3KCNK9
SCHEMBL15825667 0.81 LMNA (0.49) LMNAGAACXCR5KCNK3KCNK9
SCHEMBL3753308 0.80 GAA (0.48) LMNAGAACXCR5KCNK3KCNK9
SCHEMBL28624943 0.78 KDM4E (0.54) LMNAGAACXCR5MEN1KMT2A
SCHEMBL27775239 0.76 CXCR5 (0.67) CXCR5
SCHEMBL9830646 0.75 GAA (0.75) LMNAGAAKCNK3KCNK9PTGS1
SCHEMBL16372245 0.74 LMNA (0.51) LMNAGAAKCNK3KCNK9PTGS1
SCHEMBL7001833 0.74 LMNA (0.68) LMNAGAAKCNK3KCNK9PTGS1
SCHEMBL464462 0.74 PSMB5 (0.76) LMNAGAACXCR5

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
EP-2212334-B1 PROTEASOME INHIBITORS MILLENNIUM PHARM INC (US) 2012-08-15 EP disclosed
US-7838673-B2 Proteasome inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-11-23 US disclosed
US-20090099132-A1 Proteasome inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-16 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-20090099132-A1 Proteasome inhibitors PSMB5, PSMG3, PSMB1 LMNA 2455/4885GAA 179/4885CXCR5 4646/4885

“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.