SCHEMBL17327490

SCHEMBL17327490

CC(=O)N1CCOCC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP13 P45452 1/20 0.33
TSHR P16473 1/20 0.33
CNR2 P34972 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL29122407 0.84 CA12 (0.46) FKBP1ACA12CA1CA2CA9
SCHEMBL5742303 0.84 CA12 (0.46) FKBP1ACA12CA1CA2CA9
SCHEMBL22091994 0.84 CA12 (0.46) FKBP1ACA12CA1CA2CA9
SCHEMBL28020282 0.81 CA12 (0.44) FKBP1ACA12CA1CA2CA9
SCHEMBL627897 0.80 FKBP1A (0.43) FKBP1ACA12CA1CA2CA9
SCHEMBL627896 0.80 FKBP1A (0.43) FKBP1ACA12CA1CA2CA9
SCHEMBL17323625 0.80 FKBP1A (0.49) FKBP1ACA12CA1CA2CA9
SCHEMBL28451036 0.80 FKBP1A (0.43) FKBP1ACA12CA1CA2CA9
SCHEMBL19075596 0.80 FKBP1A (0.43) FKBP1ACA12CA1CA2CA9
SCHEMBL19083696 0.80 ATM (0.46) FKBP1AATMPOLBHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO FKBP1A 371/4885CA12 386/4885CA1 356/4885
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 FKBP1A 1251/4885CA12 2381/4885CA1 2212/4885

“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.