SCHEMBL726802

SCHEMBL726802

CC(C)=C1C2CCC1C(C(=O)Nc1ccc(Br)cc1)C2C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 11/20 0.59
▸ FPR1 P21462 1/20 0.55
▸ TSHR P16473 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.52
▸ KMT2A Q03164 1/20 0.49
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12040475 0.88 TSHR (0.55) FPR2TSHRGAATAAR1KMT2A
SCHEMBL726810 0.80 FPR2 (0.78) FPR2FPR1TSHRKMT2APOLB
SCHEMBL12040645 0.74 FPR2 (1.00) FPR2FPR1
SCHEMBL3493897 0.73 KMT2A (0.76) FPR2FPR1GAAKMT2APOLB
SCHEMBL15702588 0.71 POLB (0.74) FPR2FPR1TSHRGAAKMT2A
SCHEMBL726935 0.71 POLB (0.74) FPR2FPR1TSHRGAAKMT2A
SCHEMBL16008081 0.71 FPR2 (1.00) FPR2FPR1
SCHEMBL16009816 0.71 FPR2 (1.00) FPR2FPR1
SCHEMBL19549551 0.71 FPR2 (1.00) FPR2FPR1
SCHEMBL16008110 0.71 FPR2 (1.00) FPR2FPR1

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
WO-2011163502-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 — — WO disclosed
US-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 — — US disclosed
US-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 — — 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-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY FPR1, FPR2, FPR3 FPR2 2/4885FPR1 1/4885TSHR 886/4885

“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.

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