SCHEMBL20503370

SCHEMBL20503370

CC(C)(C)OC(=O)N1CCC(=C[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM5 P41594 1/20 0.44
ESR2 Q92731 1/20 0.41
ADORA1 P30542 1/20 0.40
NR1H2 P55055 1/20 0.40
HPGD P15428 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
STS P08842 1/20 0.38
KCNH2 Q12809 1/20 0.38
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL26092935 0.84 ALDH1A1 (0.45) MAPTALDH1A1LMNAUSP2SMN1; SMN2
SCHEMBL24673913 0.79 USP2 (0.51) MAPTALDH1A1LMNAUSP2SMN1; SMN2
SCHEMBL10253506 0.79 USP2 (0.51) MAPTALDH1A1LMNAUSP2SMN1; SMN2
SCHEMBL30897992 0.78 USP2 (0.50) MAPTALDH1A1LMNAUSP2SMN1; SMN2
SCHEMBL513246 0.78 USP2 (0.50) MAPTALDH1A1LMNAUSP2SMN1; SMN2
SCHEMBL3719620 0.76 USP2 (0.49) MAPTALDH1A1LMNAUSP2SMN1; SMN2
SCHEMBL843458 0.76 USP2 (0.49) MAPTALDH1A1LMNAUSP2SMN1; SMN2
SCHEMBL1689676 0.76 USP2 (0.49) MAPTALDH1A1LMNAUSP2SMN1; SMN2
SCHEMBL2948300 0.76 USP2 (0.49) MAPTUSP2SMN1; SMN2GRM5ESR2
SCHEMBL14419067 0.76 USP2 (0.49) MAPTALDH1A1LMNAUSP2SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752628-B2 Compounds and methods for treating synovial sarcomas THE BROAD INSTITUTE, INC. (US) 2020-08-25 US disclosed
WO-2018213422-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS (US) 2018-11-22 WO disclosed
US-20180327407-A1 COMPOUNDS AND METHODS FOR TREATING SYNOVIAL SARCOMAS HOWARD HUGHES MEDICAL INSTITUTE 2018-11-15 US disclosed
WO-2018187614-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS (US) 2018-10-11 WO disclosed
EP-3377499-A1 COMPOUNDS AND METHODS FOR TREATING SYNOVIAL SARCOMAS Kadoch, Cigall (US) 2018-09-26 EP 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 (2 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-20180327407-A1 COMPOUNDS AND METHODS FOR TREATING SYNOVIAL SARCOMAS EWSR1, TP53, PAX3 MAPT 4571/4885ALDH1A1 118/4885LMNA 1341/4885
US-10752628-B2 Compounds and methods for treating synovial sarcomas EWSR1, TP53, PAX3 MAPT 4571/4885ALDH1A1 118/4885LMNA 1341/4885

“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.