SCHEMBL17206753

SCHEMBL17206753

Cc1cccc(C2=NOC(C)(C)C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 16/20 0.46
▸ NOTUM Q6P988 1/20 0.42
▸ PGR P06401 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL6127970 0.69 IL2 (0.38) IL2
SCHEMBL301247 0.65 ACHE (0.69) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL29373699 0.65 ACHE (0.69) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL31471473 0.65 ACHE (0.69) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL28605783 0.65 L3MBTL1 (0.40) NOTUMPGRHPGDRAB9A
SCHEMBL9667604 0.64 MAPT (0.49) NOTUMPGRNPC1HPGDTSHR
SCHEMBL18797759 0.63 ACHE (0.65) PGRNPC1HPGDTSHRRAB9A
SCHEMBL19577801 0.63 ACHE (0.65) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL9855192 0.62 NISCH (0.53) NOTUMPGRNPC1RAB9A
SCHEMBL1338857 0.62 KDM4E (0.56) IL2PGRNPC1HPGDTSHR

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-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2017-10-26 — — US disclosed
US-9737534-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2017-08-22 — — US disclosed
US-9737534-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2017-08-22 — — US disclosed
US-20160022673-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS LUPIN LIMITED (IN) 2016-01-28 — — US disclosed
US-9169242-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2015-10-27 — — US 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-20160022673-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS RYR2, RYR1, GABRR1 IL2 2413/4885NOTUM 3543/4885PGR 2525/4885
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 IL2 2980/4885NOTUM 4113/4885PGR 2413/4885

“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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