SCHEMBL17535975

SCHEMBL17535975

COc1cccc(-c2ccc(F)cc2)c1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.51
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SQOR Q9Y6N5 1/20 0.46
DHODH Q02127 2/20 0.45
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
TNKS O95271 2/20 0.43
AR P10275 1/20 0.43
PTGS2 P35354 1/20 0.42
KDM1A O60341 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
GAPDH P04406 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL10093046 0.89 ERN1 (0.49) ERN1DHODHTNKSKDM1ANFE2L2
SCHEMBL6606923 0.88 ERN1 (0.51) ERN1DHODHCYP1A2CYP3A4CYP2D6
SCHEMBL5690752 0.83 SQOR (0.55) SLC6A4SLC6A3SQORUSP2CYP1A2
SCHEMBL23226521 0.83 ERN1 (0.58) ERN1DHODHTSHRBACE1
SCHEMBL28967596 0.83 ERN1 (0.51) ERN1DHODHAPPBACE1METAP2
SCHEMBL16056052 0.80 FGFR1 (0.42) ERN1SLC6A4SLC6A3SQORTNKS
SCHEMBL28189326 0.78 CYP1A2 (0.54) ERN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13263081 0.78 PTGS2 (0.42) ERN1PTGS2
SCHEMBL3728334 0.78 ALOX5AP (0.47) ERN1DHODHCYP3A4TSHRPTGS2
SCHEMBL630768 0.78 CA1 (0.58) ERN1CYP3A4TSHRNFE2L2CA12

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
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
CN-101437403-A Treatment methods using triaryl methane compounds ICAGEN INC (US) 2009-05-20 CN 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 3034/4885SLC6A4 88/4885SLC6A3 143/4885

“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.