Sugi Predict

Sugi Predict / Compounds / SCHEMBL2581157

SCHEMBL2581157

SCHEMBL2581157

CCOC(=O)Cc1cc(Br)c[n+]([O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP4Z1 Q86W10 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ RET P07949 1/20 0.35
▸ MET P08581 1/20 0.35
▸ PDGFRB P09619 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
SCHEMBL24843182 0.79 SMN1; SMN2 (0.44) CYP1A2CYP2C9LMNAALDH1A1SMN1; SMN2
SCHEMBL15528472 0.76 CA1 (0.47) CYP1A2CYP2C9LMNAKMT2ANPC1
SCHEMBL1711545 0.74 CYP4Z1 (0.43) LMNAALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL788672 0.73 EGFR (0.48) LMNAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL13902231 0.72 CYP4Z1 (0.51) LMNAALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL134983 0.72 MAPT (0.46) LMNASMN1; SMN2KDM4ECYP4Z1MAPT
SCHEMBL1500686 0.72 MAOB (0.40) CYP1A2CYP2C9LMNAALDH1A1SMN1; SMN2
SCHEMBL30739013 0.72 MAOB (0.40) CYP1A2CYP2C9LMNAALDH1A1SMN1; SMN2
SCHEMBL1922339 0.72 CYP1A2 (0.52) CYP1A2ALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL4733 0.72 CYP1A2 (0.55) CYP1A2CYP2C9LMNAALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 — — US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 — — US disclosed
US-8049015-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-01 — — US disclosed
US-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 — — US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 — — WO 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 (2 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-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP1A2 270/4885CYP2C9 541/4885LMNA 2524/4885
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP1A2 241/4885CYP2C9 499/4885LMNA 2846/4885

“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.