SCHEMBL3066321

SCHEMBL3066321

O=C1CCN(C(=O)OCc2ccccc2)C(c2cccc(F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.50
TMEM97 Q5BJF2 11/20 0.50
PARP1 P09874 1/20 0.48
PKM P14618 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.43
RIPK1 Q13546 1/20 0.42

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
SCHEMBL20703649 1.00 SIGMAR1 (0.50) SIGMAR1TMEM97PARP1PKMPTGDR2
SCHEMBL3068759 0.91 PARP1 (0.48) SIGMAR1TMEM97PARP1PTGDR2
SCHEMBL20449099 0.89 PARP1 (0.53) SIGMAR1TMEM97PARP1
SCHEMBL3155289 0.89 PARP1 (0.53) SIGMAR1TMEM97PARP1
SCHEMBL2706487 0.88 PARP1 (0.48) SIGMAR1TMEM97PARP1PTGDR2
SCHEMBL20449106 0.88 PARP1 (0.48) SIGMAR1TMEM97PARP1PTGDR2
SCHEMBL2708064 0.87 PARP1 (0.46) SIGMAR1TMEM97PARP1PTGDR2
SCHEMBL2488624 0.85 PARP1 (0.46) SIGMAR1TMEM97PARP1PKMPTGDR2
SCHEMBL4859941 0.85 PARP1 (0.46) SIGMAR1TMEM97PARP1PKMPTGDR2
SCHEMBL30969901 0.81 PARP1 (0.44) SIGMAR1TMEM97PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032651-A Heterocyclic compounds 武田药品工业株式会社 2020-04-17 CN disclosed
US-10435399-B2 HDAC6 inhibitory heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-08 US disclosed
US-20190135799-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-09 US disclosed
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-7732609-B2 5-(arylsulfonyl)-pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
CN-101370776-A 5-(arylsulfonyl)-pyrazolopiperidines ELAN PHARM INC (US) 2009-02-18 CN disclosed
EP-1957458-A2 5-(ARYLSULFONYL)-PYRAZOLOPIPERIDINES Elan Pharmaceuticals Inc. (US) 2008-08-20 EP disclosed
US-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2007064914-A2 5-(ARYLSULFONYL)-PYRAZOLOPIPERIDINES ELAN PHARMACEUTICALS, INC. (US) 2007-06-07 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 (4 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-10435399-B2 HDAC6 inhibitory heterocyclic compound HDAC6, HDAC1, HDAC5 SIGMAR1 3233/4885TMEM97 3415/4885PARP1 1723/4885
US-20190135799-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC6 SIGMAR1 3050/4885TMEM97 3985/4885PARP1 1695/4885
US-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines PSEN1, PSEN2, C1S SIGMAR1 590/4885TMEM97 1929/4885PARP1 2509/4885
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines PSEN1, PSEN2, C1S SIGMAR1 590/4885TMEM97 1929/4885PARP1 2509/4885

“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.