SCHEMBL4595337

SCHEMBL4595337

Cc1cc2c(c(-c3cc(Cl)ccc3Cl)c1)OC(CC(Cc1ccccc1)NC(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
AQP1 P29972 2/20 0.38
EGFR P00533 1/20 0.37
MMEL1 Q495T6 1/20 0.37
PSMB5 P28074 2/20 0.35
PSMB11 A5LHX3 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35
PSMA2 P25787 1/20 0.35
PSMA3 P25788 1/20 0.35
PSMA4 P25789 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB9 P28065 1/20 0.35
PSMA5 P28066 1/20 0.35
PSMB4 P28070 1/20 0.35
PSMB6 P28072 1/20 0.35
PSMB10 P40306 1/20 0.35
PSMB3 P49720 1/20 0.35
PSMB2 P49721 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
SCHEMBL4596608 0.94 MMEL1 (0.39) PTGS2AQP1EGFRMMEL1PSMB5
SCHEMBL6373731 0.90 AQP1 (0.47) PTGS2AQP1EGFRMMEL1PSMB5
SCHEMBL6374679 0.83 AQP1 (0.38) PTGS2AQP1EGFRMAPTCAPN1
SCHEMBL4596622 0.83 AQP1 (0.56) PTGS2AQP1EGFRPSMB5CAPN1
SCHEMBL4220793 0.80 MME (0.40) AQP1PSMB5PSMB8MAPTCAPN1
SCHEMBL6372229 0.80 PRKAB2 (0.38) MMEL1CAPN1
SCHEMBL4596666 0.80 AQP1 (0.36) PTGS2AQP1MMEL1MAPT
SCHEMBL6368102 0.78 AQP1 (0.40) AQP1MAPTCAPN1
SCHEMBL4233585 0.78 AQP1 (0.39) AQP1PSMB5PSMB8MAPT
SCHEMBL4231586 0.77 AQP1 (0.42) AQP1MAPTS1PR4

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
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 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-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A PTGS2 2436/4885AQP1 2290/4885EGFR 1303/4885

“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.