SCHEMBL3903402

SCHEMBL3903402

CC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)oc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 3/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
PAX8 Q06710 1/20 0.45
AR P10275 2/20 0.44
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP4B1 P13584 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
SCHEMBL3903395 0.88 NPC1 (0.66) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL28025164 0.86 NPC1 (0.51) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL3101093 0.84 CFTR (0.50) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL10518453 0.83 NPC1 (0.54) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL2238087 0.82 MAPT (0.47) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL8536799 0.80 NPC1 (0.58) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL4117707 0.80 NPC1 (0.77) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL9834670 0.79 ALDH1A1 (0.59) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL3905126 0.77 ALDH1A1 (0.47) NPC1RAB9AALDH1A1KDM4EAR
SCHEMBL3905122 0.77 ALDH1A1 (0.47) NPC1RAB9AALDH1A1KDM4EAR

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
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.