SCHEMBL4657947

SCHEMBL4657947

COC(=O)c1cc(C(=O)NCCc2ccc(OCCCCCc3ccccc3)cc2)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.59
NPC1 O15118 7/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 3/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
KDM5B Q9UGL1 1/20 0.50
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
PLA2G4B P0C869 1/20 0.47
FFAR1 O14842 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
SCHEMBL4656915 0.91 MEN1 (0.60) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4657788 0.89 NPC1 (0.59) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4658118 0.85 RAB9A (0.57) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4658105 0.85 KDM5B (0.63) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13979602 0.85 RAB9A (0.57) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4657235 0.84 MEN1 (0.63) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4656460 0.81 MEN1 (0.60) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4657667 0.81 MEN1 (0.60) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4657756 0.80 NPC1 (0.58) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4658285 0.80 MEN1 (0.64) RAB9ANPC1MEN1KMT2ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391199-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2008-12-10 EP disclosed
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-04-19 US disclosed
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-04-19 US disclosed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-11 US disclosed
EP-1391199-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-02-25 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 (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-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient EDF1, FFAR1, EDNRA RAB9A 4149/4885NPC1 2652/4885MEN1 1748/4885
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient EDF1, FFAR1, VCAM1 RAB9A 4064/4885NPC1 1756/4885MEN1 1352/4885

“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.