SCHEMBL3906995

SCHEMBL3906995

CCOC(=O)c1cccc(N(Cc2ccccc2)C(=O)c2cc(-c3ccc(F)cc3)oc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.46
▸ CETP P11597 3/20 0.42
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDK1 Q15118 2/20 0.41
▸ LTB4R2 Q9NPC1 4/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TNKS O95271 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL3905527 0.88 MAPT (0.41) RAB9ACETPMAPTLMNAKDM4E
SCHEMBL3910120 0.85 MAPT (0.42) RAB9AMAPTLMNAKDM4ENPSR1
SCHEMBL3913346 0.85 RAB9A (0.51) RAB9AMAPTLMNAKDM4EHTT
SCHEMBL3904664 0.85 TP53 (0.40) RAB9AMAPTLMNANPSR1NPC1
SCHEMBL13802104 0.83 RAB9A (0.48) RAB9AHTTNPC1ALDH1A1PDK1
SCHEMBL13791108 0.80 RAB9A (0.46) RAB9AMAPTLMNAKDM4EHTT
SCHEMBL3902334 0.76 KMT2A (0.62) RAB9AMAPTLMNANPSR1NPC1
SCHEMBL3901597 0.76 RAB9A (0.37) RAB9AMAPTLMNAKDM4ENPSR1
SCHEMBL29858410 0.74 NPC1 (0.48) RAB9AMAPTLMNAKDM4ENPC1
SCHEMBL10106410 0.73 PTPN1 (0.58) RAB9ACETPMAPTLMNANPSR1

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 RAB9A 4758/4885CETP 619/4885MAPT 4697/4885

“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.

Send feedback