SCHEMBL3314285

SCHEMBL3314285

Cc1cc2c(=O)n(CC(=O)O)c(=O)n(CC(=O)N(Cl)c3ccnc(Cl)c3)c2cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.39
PTGS1 P23219 2/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RHEB Q15382 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.35
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 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
SCHEMBL3311492 0.90 PTGDR2 (0.46) PTGDR2PTGS1ALDH1A1MAPTMEN1
SCHEMBL3316099 0.87 AKR1B1 (0.48) PTGDR2PTGS1ALDH1A1KDM4EAKR1A1
SCHEMBL3309846 0.86 ALDH1A1 (0.46) PTGDR2ALDH1A1KDM4EMAPTMEN1
SCHEMBL3312910 0.86 ALDH1A1 (0.39) PTGDR2PTGS1ALDH1A1KDM4EMAPT
SCHEMBL3313296 0.85 CNR2 (0.42) PTGDR2PTGS1ALDH1A1KDM4EMAPT
SCHEMBL3311370 0.85 CMA1 (0.44) PTGDR2PTGS1ALDH1A1KDM4EMAPT
SCHEMBL3314289 0.75 S1PR2 (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3314277 0.71 MAPT (0.48) KDM4EMAPTMEN1KMT2ATP53
SCHEMBL9045063 0.64 ALDH1A1 (0.53) PTGDR2ALDH1A1KDM4EMAPTAKR1A1
SCHEMBL11262290 0.62 APEX1 (0.58) ALDH1A1KDM4EMEN1KMT2ANPSR1

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
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2014-07-03 US disclosed
US-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2010-05-06 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 (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-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 PTGDR2 95/4885PTGS1 261/4885ALDH1A1 1798/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 PTGDR2 107/4885PTGS1 280/4885ALDH1A1 1837/4885

“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.