SCHEMBL18878400

SCHEMBL18878400

CC(C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.50
BRD4 O60885 1/20 0.39
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCRTR2 O43614 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G5 P39877 1/20 0.33
NR1H2 P55055 5/20 0.32
NR1H3 Q13133 3/20 0.32
RECQL P46063 1/20 0.32
HSD11B2 P80365 1/20 0.32
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL12396343 1.00 SPHK1 (0.50) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL2615737 0.90 SPHK1 (0.47) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL16553346 0.90 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL16553345 0.90 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL30669036 0.90 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL15336587 0.90 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL30669043 0.88 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL30170046 0.87 SPHK1 (0.45) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL4627954 0.86 SPHK1 (0.47) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL4627950 0.86 SPHK1 (0.47) SPHK1BRD4CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 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-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 (6 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 SPHK1 1425/4885BRD4 4/4885CHRM2 4561/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A SPHK1 1892/4885BRD4 2/4885CHRM2 1466/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC SPHK1 2033/4885BRD4 205/4885CHRM2 4866/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 SPHK1 1681/4885BRD4 2/4885CHRM2 2932/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 SPHK1 1757/4885BRD4 194/4885CHRM2 4711/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A SPHK1 1892/4885BRD4 2/4885CHRM2 1466/4885

“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.