SCHEMBL1044954

SCHEMBL1044954

Oc1ccc(OCF)c(OCF)c1OCF

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ IDO1 P14902 1/20 0.32
▸ DRD1 P21728 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31

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
SCHEMBL28960718 0.88 ALDH1A1 (0.41) —
SCHEMBL1047332 0.75 PTGDR2 (0.31) MAPTDRD1
SCHEMBL11445879 0.74 TSHR (0.32) JAK2LMNAGAAMAPTIDO1
SCHEMBL1044953 0.74 DRD1 (0.34) DRD1
SCHEMBL1838297 0.74 ESR1 (0.47) —
SCHEMBL1047295 0.74 — —
SCHEMBL31332164 0.74 ESR1 (0.47) —
SCHEMBL14060482 0.72 IDO1 (0.56) JAK2LMNAGAAMAPTIDO1
SCHEMBL27041001 0.72 MAPT (0.40) LMNAGAAMAPT
SCHEMBL16178398 0.72 SMN1; SMN2 (0.43) JAK2LMNAGAAMAPTDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105636957-A Tetrazolinone compound and application for same SUMITOMO CHEMICAL CO 2016-06-01 — — CN disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 — — US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 — — US disclosed
CN-102895230-A Antituberculous composition comprising oxazole compounds OTSUKA PHARMA CO LTD 2013-01-30 — — CN disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 — — EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 — — US disclosed
CN-101277740-A Antituberculous compositions comprising * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-10-01 — — CN disclosed
EP-1931425-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 — — EP disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 — — WO disclosed
WO-2007043542-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-19 — — WO 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 (2 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 JAK2 2085/4885LMNA 3545/4885GAA 976/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 JAK2 2085/4885LMNA 3545/4885GAA 976/4885

“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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