SCHEMBL3308134

SCHEMBL3308134

COC(=O)C(CC(=O)O)Cc1cc(Br)c(N)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.42
POLB P06746 1/20 0.36
NOTUM Q6P988 1/20 0.36
FOLH1 Q04609 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 3/20 0.33
PPARG P37231 3/20 0.33

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
SCHEMBL3308130 1.00 ADRB2 (0.42) ADRB2POLBNOTUMFOLH1LMNA
SCHEMBL3306655 0.93 FOLH1 (0.37) ADRB2POLBFOLH1EPHX2PPARG
SCHEMBL3306650 0.93 FOLH1 (0.37) ADRB2POLBFOLH1EPHX2PPARG
SCHEMBL3309680 0.87 ADRB2 (0.43) ADRB2FOLH1LMNAMAPTPPARG
SCHEMBL3309683 0.87 ADRB2 (0.43) ADRB2FOLH1LMNAMAPTPPARG
SCHEMBL4461700 0.86 CPA1 (0.45) ADRB2FOLH1
SCHEMBL4478582 0.86 CPA1 (0.45) ADRB2FOLH1
SCHEMBL4510891 0.83 POLB (0.37) POLBFOLH1MAPT
SCHEMBL4510897 0.83 POLB (0.37) POLBFOLH1MAPT
SCHEMBL4609155 0.79 POLB (0.41) POLBFOLH1PPARG

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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
CN-1708493-A Selected CGRP antagonists, method for production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ADRB2 63/4885POLB 2618/4885NOTUM 3740/4885

“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.