SCHEMBL17535640

SCHEMBL17535640

COc1cc(-c2ccc(F)cc2F)c(Br)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.44
PRKDC P78527 1/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AMY1A P0DUB6 1/20 0.42
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
MDM2 Q00987 1/20 0.37
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 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
SCHEMBL16616316 0.85 LMNA (0.48) ALDH1A1KDM4ETSHRHPGDMEN1
SCHEMBL16055950 0.83 PRKDC (0.46) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL4600427 0.80 ALDH1A1 (0.57) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL30316242 0.80 ALDH1A1 (0.57) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL17535544 0.79 ERN1 (0.41) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL22918396 0.78 PRKDC (0.63) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL16055178 0.78 ERN1 (0.45) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL17535470 0.77 ERN1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL16616057 0.76 ERN1 (0.37) ERN1PRKDCALDH1A1AMY1AHPGD
SCHEMBL1539323 0.75 ALDH1A1 (0.69) ERN1PRKDCALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 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 (1 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 ERN1 3034/4885PRKDC 4153/4885ALDH1A1 2449/4885

“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.