SCHEMBL12864477

SCHEMBL12864477

COC(=O)c1ccc(CNC(=O)C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.55
ERCC4 Q92889 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.54
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PTGES O14684 1/20 0.51
HPGD P15428 2/20 0.50
CYP4A11 Q02928 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP4F2 P78329 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL31734447 0.86 LOXL2 (0.50) LOXL2CA1CA2SMN1; SMN2MEN1
SCHEMBL12131750 0.86 ERCC1 (0.70) ERCC1ERCC4CA1CA2MEN1
SCHEMBL12899398 0.84 CA1 (0.51) LOXL2CA1CA2SMN1; SMN2MEN1
SCHEMBL27820620 0.84 LOXL2 (0.53) LOXL2CA1CA2SMN1; SMN2MEN1
SCHEMBL14376214 0.84 LOXL2 (0.53) LOXL2CA1CA2SMN1; SMN2MEN1
SCHEMBL13609099 0.84 CA1 (0.58) LOXL2CA1CA2SMN1; SMN2MEN1
SCHEMBL24073312 0.83 LMNA (0.49) LOXL2CA1CA2SMN1; SMN2MEN1
SCHEMBL12884473 0.83 CA1 (0.50) LOXL2CA1CA2SMN1; SMN2MEN1
SCHEMBL4562855 0.83 KMT2A (0.66) ERCC1ERCC4MEN1KMT2AALDH1A1
SCHEMBL13848261 0.83 ERCC1 (0.58) ERCC1ERCC4CA1CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-09-08 US disclosed
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 US disclosed
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-03-01 US disclosed
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-03-01 US disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 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 (7 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-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ERCC1 2203/4885ERCC4 1248/4885LOXL2 3746/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ERCC1 2203/4885ERCC4 1248/4885LOXL2 3746/4885
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ERCC1 2203/4885ERCC4 1248/4885LOXL2 3746/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ERCC1 2203/4885ERCC4 1248/4885LOXL2 3746/4885
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX ERCC1 2753/4885ERCC4 1025/4885LOXL2 1/4885
US-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 ERCC1 3781/4885ERCC4 3244/4885LOXL2 3843/4885
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX ERCC1 2753/4885ERCC4 1025/4885LOXL2 1/4885

“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.