SCHEMBL3903094

SCHEMBL3903094

CCOC(=O)C(C)(C)Sc1cccc(O)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ TP53 P04637 2/20 0.38
▸ POLB P06746 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CNR2 P34972 3/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ MMP8 P22894 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35

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
SCHEMBL1691530 0.87 TP53 (0.39) TP53POLBNPSR1MEN1KMT2A
SCHEMBL1463630 0.81 POLB (0.43) TP53POLBNPSR1MEN1KMT2A
SCHEMBL1463530 0.78 PIN1 (0.44) TP53POLBNPSR1MEN1KMT2A
SCHEMBL9994877 0.75 PIN1 (0.45) TP53POLBNPSR1MEN1KMT2A
SCHEMBL9006480 0.74 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL1464473 0.73 POLB (0.45) TP53POLBNPSR1MEN1KMT2A
SCHEMBL10171688 0.73 POLB (0.44) TP53POLBMEN1KMT2ANPC1
SCHEMBL766886 0.72 KMT2A (0.47) TP53POLBNPSR1MEN1KMT2A
SCHEMBL5992403 0.71 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL3347843 0.71 TP53 (0.40) CA12CA1CA2CA7CA9

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 CA12 2967/4885CA1 1694/4885CA2 1376/4885

“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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