SCHEMBL16055978

SCHEMBL16055978

CCOc1cc(N2CCC(F)(F)CC2)ccc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 4/20 0.44
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALK Q9UM73 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
SCHEMBL16055132 0.88 HIF1A (0.48) KMT2AMEN1MAPTCYP2C9CYP2C19
SCHEMBL16056102 0.85 ALDH1A1 (0.49) TDP1KMT2AMEN1MAPTCYP2C9
SCHEMBL16056416 0.84 MEN1 (0.41) KMT2AMEN1MAPTALDH1A1HTR6
SCHEMBL17535526 0.83 TDP1 (0.51) TDP1KMT2AMEN1MAPTCYP2C9
SCHEMBL17535514 0.81 HIF1A (0.44) KMT2AMEN1MAPTCYP2C9CYP2C19
SCHEMBL17535889 0.79 TDP1 (0.39) TDP1KMT2AMEN1MAPTALDH1A1
SCHEMBL194695 0.79 SIRT6 (0.46) KMT2AMEN1MAPTCYP2C19ALDH1A1
SCHEMBL17535766 0.77 SCN9A (0.41) TDP1MAPTALDH1A1SMN1; SMN2
SCHEMBL23044891 0.75 MAPT (0.47) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL29681650 0.74 MAPT (0.41) KMT2AMEN1MAPTALDH1A1HIF1A

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
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 — — EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 — — US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 — — US disclosed
EP-2970331-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-01-20 — — EP disclosed
WO-2014142363-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-18 — — 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 (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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 TDP1 4572/4885KMT2A 2455/4885MEN1 185/4885

“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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