SCHEMBL5541552

SCHEMBL5541552

COc1ccc(C(=O)O)c2c3cc(Cl)ccc3n(Cc3ccc(F)cc3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
TSHR P16473 3/20 0.45
CYP2C19 P33261 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
PMP22 Q01453 2/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CCR2 P41597 3/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
MAPT P10636 6/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43

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
SCHEMBL5546407 0.91 LMNA (0.45) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5016426 0.86 FABP4 (0.47) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5546412 0.85 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5023496 0.83 KCNMA1 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL5025162 0.83 CYP3A4 (0.45) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5016454 0.83 PDE4D (0.49)
SCHEMBL5023302 0.82 MAPT (0.42) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL5546551 0.81 MAPT (0.48) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL5016446 0.81 PIK3R1 (0.46) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5023025 0.81 MAPT (0.43) CYP3A4TSHRKDM4ELMNABLM

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
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
EP-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-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. (US) 2004-05-06 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-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 CYP1A2 713/4885CYP3A4 594/4885CYP2C9 1666/4885

“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.