SCHEMBL4331674

SCHEMBL4331674

O=C(Nc1ccc(F)cc1F)OCCc1cccc(CC(C(=O)O)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MGLL Q99685 1/20 0.43
ULK1 O75385 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPIA P62937 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
PLAU P00749 1/20 0.40
CASP3 P42574 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL13810380 0.91 RAB9A (0.45) RAB9APOLBSMN1; SMN2HTTNPC1
SCHEMBL4335082 0.89 RAB9A (0.51) RAB9APOLBSMN1; SMN2HTTNPC1
SCHEMBL4339604 0.81 KMT2A (0.49) RAB9APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL4327937 0.80 MAPT (0.47) RAB9APOLBSMN1; SMN2HTTNPC1
SCHEMBL13810354 0.80 RAB9A (0.55) RAB9APOLBSMN1; SMN2HTTNPC1
SCHEMBL4339388 0.80 MGLL (0.62) RAB9ASMN1; SMN2NPC1ALDH1A1MGLL
SCHEMBL4339712 0.80 SMN1; SMN2 (0.49) RAB9APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL4336950 0.76 MGLL (0.51) RAB9ASMN1; SMN2NPC1MGLLMEN1
SCHEMBL4328095 0.76 MGLL (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1MGLL
SCHEMBL285633 0.76 RAB9A (0.60) RAB9APOLBSMN1; SMN2HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 RAB9A 2956/4885POLB 3622/4885SMN1; SMN2 3054/4885

“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.