SCHEMBL3543457

SCHEMBL3543457

[CH2]n1c(=O)oc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.57
▸ HPGD P15428 3/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ USP2 O75604 2/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MIF P14174 1/20 0.50
▸ IDO1 P14902 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL17772680 0.74 MAPK1 (0.57) TSHRHPGDMAPK1USP2ALDH1A1
SCHEMBL29455598 0.74 MAPK1 (0.57) TSHRHPGDMAPK1USP2ALDH1A1
SCHEMBL28345389 0.74 MAPK1 (0.57) TSHRHPGDMAPK1USP2ALDH1A1
SCHEMBL9410541 0.74 MAPK1 (0.57) TSHRHPGDMAPK1USP2ALDH1A1
SCHEMBL13378055 0.74 MAPK1 (0.57) TSHRHPGDMAPK1USP2ALDH1A1
SCHEMBL6137109 0.74 MAPK1 (0.57) TSHRHPGDMAPK1USP2ALDH1A1
SCHEMBL170140 0.74 MAPK1 (0.57) TSHRHPGDMAPK1USP2ALDH1A1
SCHEMBL3447171 0.74 MAPK1 (0.57) TSHRHPGDMAPK1USP2ALDH1A1
SCHEMBL6362399 0.74 MAPK1 (0.52) TSHRHPGDMAPK1USP2ALDH1A1
SCHEMBL5537126 0.74 MAPK1 (0.72) TSHRHPGDMAPK1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834007-B2 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-16 — — US claimed
US-20070049577-A1 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 — — US claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 — — WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 — — US claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
US-7834007-B2 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-16 — — US disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 — — CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 — — CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20070049577-A1 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 — — US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 — — WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 — — CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
EP-0921800-A4 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2000-12-06 — — EP disclosed
EP-0921800-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-16 — — EP disclosed
WO-1997029748-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-21 — — 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TSHR 319/4885HPGD 3159/4885MAPK1 1392/4885
US-20070049577-A1 CGRP antagonists CALCRL, CALCR, CALCA TSHR 427/4885HPGD 307/4885MAPK1 1174/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 TSHR 4292/4885HPGD 1825/4885MAPK1 3183/4885

“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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