SCHEMBL505227

SCHEMBL505227

Cc1nc(-c2ccc(C(=O)O)cc2)oc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 3/20 0.50
PPARD Q03181 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
RARA P10276 3/20 0.46
RARB P10826 3/20 0.46
RARG P13631 3/20 0.46
GPR119 Q8TDV5 1/20 0.45
MYC P01106 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
TARBP2 Q15633 1/20 0.44
HPGD P15428 1/20 0.44
IKBKB O14920 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL11527293 0.85 KDM4E (0.49) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL505624 0.82 ALDH1A1 (0.61) RAB9ANPC1GAAKDM4EPPARD
SCHEMBL15326049 0.81 KDM4E (0.56) RAB9ANPC1KDM4EPPARDTARBP2
SCHEMBL12469428 0.81 KDM4E (0.56) RAB9ANPC1KDM4ELMNAHPGD
SCHEMBL15323450 0.80 KDM4E (0.55) RAB9ANPC1KDM4EPPARDHPGD
SCHEMBL9862893 0.78 NPC1 (0.51) RAB9ANPC1GAAKDM4EHTT
SCHEMBL14431592 0.78 GAA (0.54) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL2706143 0.77 NPC1 (0.52) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL436384 0.77 GAA (0.57) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL11516383 0.76 NR1H4 (0.44) RAB9ANPC1GAAKDM4EPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
CN-104030987-A DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA 2014-09-10 CN disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 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 (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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD RAB9A 1436/4885NPC1 3171/4885GAA 318/4885

“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.