SCHEMBL7826539

SCHEMBL7826539

C[C@H](C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 1.00
PTGS1 P23219 6/20 0.59
AKR1C3 P42330 3/20 0.59
LMNA P02545 3/20 0.59
CYP2C9 P11712 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 2/20 0.59
AKR1C2 P52895 2/20 0.59
SLC22A6 Q4U2R8 2/20 0.59
FABP2 P12104 1/20 0.59
AKR1C4 P17516 1/20 0.59
ADRA2B P18089 1/20 0.59
CHRM3 P20309 1/20 0.59
HTR2C P28335 1/20 0.59
DRD3 P35462 1/20 0.59
AKR1C1 Q04828 1/20 0.59
CYP1A2 P05177 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59

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
SCHEMBL1211557 1.00 PTGS2 (1.00) PTGS2PTGS1AKR1C3LMNACYP2C9
Hydrochloric Acid SCHEMBL5753890 0.98 PTGS2 (0.96) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL917093 0.93 PTGS2 (0.87) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL17524311 0.89 PTGS2 (0.81) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL23581099 0.86 PTGS2 (0.75) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL66842 0.86 PTGS2 (0.75) PTGS2PTGS1AKR1C3LMNACYP2C9
Benzene SCHEMBL28145708 0.86 PTGS2 (0.75) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL10411845 0.86 PTGS2 (0.75) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL3418 0.86 PTGS2 (0.75) PTGS2PTGS1AKR1C3LMNACYP2C9
Iodide SCHEMBL3868944 0.86 PTGS2 (0.75) PTGS2PTGS1AKR1C3LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160038448-A1 THE INHIBITION OF THE TOXIC EFFECTS OF ISLET AMYLOID FORMATION BY FLURBIPROFEN AND FLURBIPROFEN DERIVATIVES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-02-11 US disclosed
US-20160038448-A1 THE INHIBITION OF THE TOXIC EFFECTS OF ISLET AMYLOID FORMATION BY FLURBIPROFEN AND FLURBIPROFEN DERIVATIVES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-02-11 US disclosed
WO-2014159772-A2 INHIBITION OF THE TOXIC EFFECTS OF ISLET AMYLOID FORMATION BY FLURIPROFEN AND FLURIPROFEN DERIVATIVES THE RESEARCH FOUNDATION FOR THE STATW UNIVERSITY OF NEW YORK (US) 2014-10-02 WO disclosed
WO-2014159772-A2 INHIBITION OF THE TOXIC EFFECTS OF ISLET AMYLOID FORMATION BY FLURIPROFEN AND FLURIPROFEN DERIVATIVES THE RESEARCH FOUNDATION FOR THE STATW UNIVERSITY OF NEW YORK (US) 2014-10-02 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (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-20160038448-A1 THE INHIBITION OF THE TOXIC EFFECTS OF ISLET AMYLOID FORMATION BY FLURBIPROFEN AND FLURBIPROFEN DERIVATIVES IAPP, AMY2A, APP PTGS2 2081/4885PTGS1 1077/4885AKR1C3 50/4885

“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.