SCHEMBL3914342

SCHEMBL3914342

Cc1oc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 1/20 0.56
PTGER4 P35408 1/20 0.53
HPGD P15428 2/20 0.51
TP53 P04637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
SCN10A Q9Y5Y9 2/20 0.49
AURKA O14965 1/20 0.47
TPX2 Q9ULW0 1/20 0.47
PIM1 P11309 1/20 0.47
PTPN22 Q9Y2R2 2/20 0.46
MAPT P10636 1/20 0.46
IGF2BP2 Q9Y6M1 1/20 0.45

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
SCHEMBL3099900 0.88 SCN10A (0.54) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28626819 0.85 ALDH1A1 (0.52) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3973924 0.82 ALDH1A1 (0.69) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3903395 0.81 NPC1 (0.66) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3978878 0.81 NPC1 (0.61) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3903274 0.79 NPC1 (0.71) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL557753 0.77 NPC1 (0.73) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28665245 0.76 PTPN22 (0.48) PTGER4AKR1C2AKR1C1AURKATPX2
SCHEMBL1326529 0.76 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3101524 0.76 SCN10A (0.44) ALDH1A1PTGER4TP53NPSR1SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 NPC1 679/4885RAB9A 4758/4885ALDH1A1 1096/4885

“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.