SCHEMBL3913375

SCHEMBL3913375

CCCCCCCN(C(=O)c1cc(-c2ccc(F)cc2)oc1C)c1cccc(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.40
▸ GPX4 P36969 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ PAX8 Q06710 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ LTB4R2 Q9NPC1 6/20 0.37
▸ S1PR1 P21453 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL3901597 0.92 RAB9A (0.37) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13791235 0.87 GPX4 (0.37) RAB9AGPX4NPC1PAX8ALDH1A1
SCHEMBL13802097 0.86 GPX4 (0.40) RAB9AGPX4NPC1PAX8ALDH1A1
SCHEMBL3904664 0.85 TP53 (0.40) RAB9AGPX4NPC1PAX8ALDH1A1
SCHEMBL3905610 0.82 ALDH1A1 (0.39) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL13791107 0.79 CYP1A2 (0.37) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13802095 0.78 ALDH1A1 (0.38) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3905527 0.77 MAPT (0.41) RAB9ANPC1ALDH1A1TP53MAPT
SCHEMBL3903353 0.73 MEN1 (0.57) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13802104 0.73 RAB9A (0.48) RAB9ANPC1PAX8ALDH1A1JAK2

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 5 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-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 4758/4885GPX4 625/4885NPC1 679/4885

“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.

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