SCHEMBL18878390

SCHEMBL18878390

CC(C)C1(NC(=O)OC(C)(C)C)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
APLNR P35414 1/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
BTK Q06187 1/20 0.34
CYP2D6 P10635 1/20 0.34
CTSK P43235 4/20 0.34
GAA P10253 2/20 0.33
CTSB P07858 1/20 0.33
P2RX7 Q99572 1/20 0.33
CTSS P25774 1/20 0.33
EPHX1 P07099 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
SCHEMBL18891796 0.83 APLNR (0.39) CTSLCA1CA2CA7MEN1
SCHEMBL24052174 0.82 CA12 (0.43) CTSLCA1CA2CA7MEN1
SCHEMBL24884855 0.81 GAA (0.39) CTSLCA1CA2CA7MEN1
SCHEMBL29399267 0.79 GAA (0.35) CTSLCA1CA2CA7MEN1
SCHEMBL28677638 0.79 CTSL (0.39) CTSLCA1CA2CA7MEN1
SCHEMBL23671282 0.79 CTSL (0.39) CTSLCA1CA2CA7MEN1
SCHEMBL1965623 0.78 BTK (0.38) CTSLCA1CA2CA7MEN1
SCHEMBL22026374 0.78 MEN1 (0.38) CTSLCA1CA2CA7MEN1
SCHEMBL23552042 0.78 CTSL (0.37) CTSLCA1CA2CA7MEN1
SCHEMBL15888207 0.78 CTSL (0.37) CTSLCA1CA2CA7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-20200317664-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-08 US disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 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 (9 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 CTSL 4415/4885CA1 4638/4885CA2 4767/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CTSL 3642/4885CA1 4416/4885CA2 3608/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 CTSL 3008/4885CA1 2442/4885CA2 2317/4885
US-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof SALL4, GLI2, TCF4 CTSL 3268/4885CA1 4719/4885CA2 4595/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 CTSL 3873/4885CA1 4295/4885CA2 4182/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 CTSL 4356/4885CA1 3820/4885CA2 3865/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CTSL 3642/4885CA1 4416/4885CA2 3608/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A CTSL 4409/4885CA1 3532/4885CA2 3991/4885
US-20200317664-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF SALL4, GLI2, TCF4 CTSL 3268/4885CA1 4719/4885CA2 4595/4885

“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.