SCHEMBL3128170

SCHEMBL3128170

CC(C)(C)OC(=O)NCCC(=O)c1cccc(NCC2CCC(F)(F)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.40
ACACA Q13085 3/20 0.40
IL1B P01584 5/20 0.39
P2RX7 Q99572 4/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
KDM1A O60341 3/20 0.38
RCOR1 Q9UKL0 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ROCK2 O75116 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
CRHR1 P34998 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL13323798 0.88 SMN1; SMN2 (0.43) ACACBACACACA1CA2KDM4E
SCHEMBL2151051 0.85 KDM1A (0.42) IL1BP2RX7KDM1ARCOR1CA1
SCHEMBL1710895 0.82 ACACB (0.35) ACACBACACAIL1BP2RX7DDB1
SCHEMBL15576261 0.82 HTR2B (0.44) IL1BP2RX7KDM1ARCOR1ROCK2
SCHEMBL1710702 0.81 CA2 (0.40) ACACBACACAIL1BP2RX7KDM1A
SCHEMBL2167617 0.81 IL1B (0.39) ACACBACACAIL1BP2RX7DDB1
SCHEMBL3125056 0.81 MEN1 (0.44) CA1CA2
SCHEMBL2151175 0.81 KDM1A (0.41) IL1BP2RX7KDM1ARCOR1CA1
SCHEMBL3128178 0.79 USP30 (0.39) ACACBACACADDB1CRBNKDM1A
SCHEMBL2178511 0.79 CA1 (0.40) DDB1CRBNCA1CA2KDM4E

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 ACACB 325/4885ACACA 541/4885IL1B 3449/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ACACB 325/4885ACACA 541/4885IL1B 3449/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ACACB 325/4885ACACA 541/4885IL1B 3449/4885

“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.