SCHEMBL5025192

SCHEMBL5025192

COc1c(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)O)c2c3cc(Cl)ccc3n(Cc3ccc(F)cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.42
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
CCR2 P41597 1/20 0.40
AR P10275 1/20 0.39
KDR P35968 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5022316 0.90 PPARG (0.47) PPARGPIK3R1PIK3CACCR2AR
SCHEMBL5016364 0.85 PPARG (0.41) PPARGCCR2ARPOLBLMNA
SCHEMBL5018009 0.85 AR (0.46) PPARGCCR2ARKDRPOLB
SCHEMBL5022815 0.84 AR (0.50) PPARGCCR2ARPOLBLMNA
SCHEMBL5016432 0.84 CDK2 (0.41) PPARGKDRKDM4ELMNANPSR1
SCHEMBL5546412 0.82 CYP1A2 (0.46) PIK3R1PIK3CACCR2KDM4ELMNA
SCHEMBL5016446 0.78 PIK3R1 (0.46) PIK3R1PIK3CAKDM4ELMNACYP1A2
SCHEMBL5541552 0.77 CYP1A2 (0.45) PIK3R1PIK3CACCR2POLBKDM4E
SCHEMBL5023377 0.76 AR (0.48) PPARGARPOLBLMNA
SCHEMBL5025162 0.75 CYP3A4 (0.45) PPARGCCR2KDM4ELMNACYP1A2

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-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-19 US disclosed
EP-1554262-B1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD (IN) 2007-12-05 EP disclosed
US-7238725-B2 Tricyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2007-07-03 US disclosed
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2006-08-10 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-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LTC4S, TSLP, GPR119 PPARG 244/4885PIK3R1 1674/4885PIK3CA 1038/4885
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them LTC4S, TSLP, GPR119 PPARG 244/4885PIK3R1 1674/4885PIK3CA 1038/4885

“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.