SCHEMBL17535945

SCHEMBL17535945

COc1ccc(Br)c(-c2ccc(F)cc2F)c1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 3/20 0.42
F2RL3 Q96RI0 1/20 0.36
MAPK14 Q16539 1/20 0.36
TRPA1 O75762 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2A P28223 3/20 0.36
PTGS2 P35354 2/20 0.36
HTR2C P28335 2/20 0.36
PTGS1 P23219 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PTGER1 P34995 1/20 0.35

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
SCHEMBL14830711 0.77 AMY1A (0.45) AMY1AHTR2AHTR2CMEN1KMT2A
SCHEMBL29765813 0.76 ALDH1A1 (0.48) MAPK14MEN1KMT2AALDH1A1POLB
SCHEMBL28456512 0.76 ALDH1A1 (0.48) MAPK14MEN1KMT2AALDH1A1POLB
SCHEMBL29712244 0.75 AMY1A (0.46) AMY1AHTR2AMEN1KMT2AALDH1A1
SCHEMBL1204321 0.75 AMY1A (0.46) AMY1AHTR2AMEN1KMT2AALDH1A1
SCHEMBL3823791 0.74 MAPT (0.50) AMY1ACYP1A2CYP2C19HTR2AMEN1
SCHEMBL16616057 0.72 ERN1 (0.37) AMY1AF2RL3MEN1KMT2AALDH1A1
SCHEMBL504965 0.72 ALDH1A1 (0.52) AMY1ACYP1A2CYP2C19HTR2AMEN1
SCHEMBL14482753 0.72 ALDH1A1 (0.52) AMY1ACYP1A2CYP2C19HTR2AMEN1
SCHEMBL29849146 0.72 ALDH1A1 (0.52) AMY1ACYP1A2CYP2C19HTR2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AMY1A 2181/4885F2RL3 2408/4885MAPK14 544/4885

“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.