SCHEMBL3311174

SCHEMBL3311174

CCNC(Cc1cc(Cl)c(N)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.43
ADRB1 P08588 1/20 0.42
ITGB1 P05556 7/20 0.38
ITGA4 P13612 7/20 0.38
ITGB7 P26010 4/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MMP7 P09237 1/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL3314974 0.91 KIFC1 (0.37) ADRB2ITGB1ITGA4ITGB7PPARG
SCHEMBL3309182 0.81 ACE (0.49) ADRB2ADRB1ITGB1ITGA4ITGB7
SCHEMBL1206717 0.79 ADRB2 (0.41) ADRB2ADRB1AKR1C3AKR1C2PPARG
SCHEMBL3309849 0.79 GRB2 (0.44) ADRB2ADRB1PPARGPPARA
SCHEMBL1206720 0.79 ADRB2 (0.41) ADRB2ADRB1AKR1C3AKR1C2PPARG
SCHEMBL3309854 0.79 GRB2 (0.44) ADRB2ADRB1PPARGPPARA
Hydrochloric Acid SCHEMBL3311854 0.78 GRB2 (0.43) ADRB2ADRB1
SCHEMBL6779095 0.77 CA2 (0.41) AKR1C2
Hydrochloric Acid SCHEMBL6779382 0.76 CA2 (0.41) AKR1C2
SCHEMBL3520174 0.76 CPA1 (0.44) ADRB2ADRB1PPARGPPARA

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 1 patent. 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

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 63/4885ADRB1 39/4885ITGB1 3153/4885

“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.