SCHEMBL6879872

SCHEMBL6879872

COc1ccc2cc(CC(=O)NO)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.69
▸ AKR1C3 P42330 1/20 0.69
▸ AKR1C2 P52895 1/20 0.69
▸ HDAC8 Q9BY41 1/20 0.62
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ POLB P06746 2/20 0.53

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
SCHEMBL6884651 0.86 PTGS1 (0.67) PTGS1AKR1C3AKR1C2HDAC8MEN1
SCHEMBL10684986 0.84 HTT (0.76) HDAC8MEN1KMT2AKDM4ECYP1A2
SCHEMBL11278088 0.84 PTGS1 (0.65) PTGS1AKR1C3AKR1C2HDAC8MEN1
SCHEMBL1448732 0.83 PTGS1 (0.73) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL11022943 0.82 HDAC1 (0.65) HDAC8MEN1KMT2ASMN1; SMN2RAB9A
Methane SCHEMBL9087821 0.82 PTGS1 (0.71) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL10587711 0.82 PTGS1 (0.70) PTGS1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL6885712 0.82 PTGS1 (0.61) PTGS1AKR1C3AKR1C2HDAC8MEN1
SCHEMBL6885747 0.82 PTGS1 (0.61) PTGS1AKR1C3AKR1C2HDAC8MEN1
6-Methoxy-2-Naphthylacetic Acid SCHEMBL253759 0.81 AKR1C3 (1.00) PTGS1AKR1C3AKR1C2KDM4ECYP1A2

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
US-6730701-B2 6-METHOXY-2-NAPHTHYLACETIC ACID DERIVATIVE AS A PRODRUGS, USEFUL FOR TREATMENT OF INFLAMMATION IN HUMANS NOBEX CORPORATION 2004-05-04 — — US disclosed
EP-1335718-A1 6-METHOXY-2-NAPHTHYLACETIC ACID PRODRUGS Nobex Corporation (US) 2003-08-20 — — EP disclosed
US-6552078-B2 Antiinflammatory and antiarthritic agents; rheumatic diseases; side effect reduction; ulcer and allergy resistance; non-irritating; easily hydrolyzed and solubilized; bioavailability BIOCON LIMITED (IN) 2003-04-22 — — US disclosed
WO-2002034260-A1 6-METHOXY-2-NAPHTHYLACETIC ACID PRODRUGS NOBEX CORPORATION (US) 2002-05-02 — — WO disclosed
US-20020028845-A1 6-methoxy-2-naphthylacetic acid prodrugs BIOCON LIMITED (IN) 2002-03-07 — — 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 (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-20020028845-A1 6-methoxy-2-naphthylacetic acid prodrugs IL6, CYP2A6, TLR6 PTGS1 648/4885AKR1C3 64/4885AKR1C2 179/4885

“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.

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