SCHEMBL3128178

SCHEMBL3128178

CN(c1cccc(C(=O)CCNC(=O)OC(C)(C)C)c1)C1CCC(F)(F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
DRD2 P14416 3/20 0.35
KDM1A O60341 3/20 0.34
NQO2 P16083 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
IDH1 O75874 1/20 0.34
IDH2 P48735 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2151048 0.86 KDM1A (0.38) USP30CA1CA2KDM1AKDM4E
SCHEMBL27840739 0.84 HPGD (0.38) KDM1AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2167622 0.81 USP30 (0.36) USP30CA1CA2DRD2NQO2
SCHEMBL27840737 0.81 ACHE (0.37) RAB9ASMN1; SMN2
SCHEMBL2151180 0.81 KDM1A (0.36) USP30KDM1AKDM4ENPC1RAB9A
SCHEMBL1710702 0.80 CA2 (0.40) CA1CA2KDM1ANQO2ACACB
SCHEMBL3128170 0.79 ACACB (0.40) CA1CA2DRD2KDM1AACACB
SCHEMBL1710895 0.79 ACACB (0.35) CA1CA2DRD2KDM1ANQO2
SCHEMBL2178508 0.79 KDM4E (0.40) CA1CA2DRD2NQO2KDM4E
SCHEMBL3134382 0.78 KDM4E (0.41) CA1CA2DRD2NQO2KDM4E

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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 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 (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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 USP30 3490/4885CA1 4789/4885CA2 1745/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 USP30 3490/4885CA1 4789/4885CA2 1745/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 USP30 3490/4885CA1 4789/4885CA2 1745/4885

“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.