Sugi Predict

Sugi Predict / Compounds / SCHEMBL137524

SCHEMBL137524

SCHEMBL137524

CCN(Cc1cc(C)ccc1-c1cc(Cl)cc(C(C)C(=O)O)c1)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.45
▸ AKR1C3 P42330 7/20 0.38
▸ AKR1C2 P52895 7/20 0.38
▸ PTGS2 P35354 4/20 0.38
▸ CTSA P10619 4/20 0.37
▸ PTGS1 P23219 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PSEN1 P49768 2/20 0.34
▸ PSEN2 P49810 2/20 0.34
▸ APH1B Q8WW43 2/20 0.34
▸ NCSTN Q92542 2/20 0.34
▸ APH1A Q96BI3 2/20 0.34
▸ PSENEN Q9NZ42 2/20 0.34
▸ AKR1C4 P17516 2/20 0.34
▸ AKR1C1 Q04828 2/20 0.34
▸ FABP2 P12104 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ CHRM3 P20309 1/20 0.34

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
SCHEMBL137674 0.90 CTSA (0.37) APPAKR1C3AKR1C2CTSAPSEN1
SCHEMBL138027 0.87 PTGDR2 (0.43) APPLMNA
SCHEMBL151690 0.86 AKR1C3 (0.45) APPAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL138045 0.85 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2CTSAPSEN1
SCHEMBL138171 0.84 ALDH1A1 (0.43) APPMEN1KMT2ATSHRLMNA
SCHEMBL137576 0.81 PTGDR2 (0.40) PTGS2MEN1KMT2ACYP2C9CHRM1
SCHEMBL13746076 0.78 PTGDR2 (0.44) AKR1C3AKR1C2PTGS2PSEN1PSEN2
SCHEMBL137681 0.77 PTGDR2 (0.40) APPCTSALMNA
SCHEMBL151825 0.77 PTGDR2 (0.42) APPAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL154195 0.76 AKR1C3 (0.47) AKR1C3AKR1C2PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 — — US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 — — US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 — — US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 — — 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 (3 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 APP 4420/4885AKR1C3 1005/4885AKR1C2 1034/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 APP 4420/4885AKR1C3 1005/4885AKR1C2 1034/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 APP 4420/4885AKR1C3 1005/4885AKR1C2 1034/4885

“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.