SCHEMBL17793363

SCHEMBL17793363

Cc1cccc(Nc2ccccc2C(=O)I)c1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.73
▸ LMNA P02545 3/20 0.73
▸ MEN1 O00255 3/20 0.73
▸ KMT2A Q03164 3/20 0.73
▸ PTGS1 P23219 3/20 0.73
▸ CYP1A2 P05177 2/20 0.73
▸ CYP3A4 P08684 2/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ AKR1C3 P42330 2/20 0.73
▸ HIF1A Q16665 2/20 0.73
▸ AKR1B10 O60218 1/20 0.73
▸ TRPA1 O75762 1/20 0.73
▸ ABCB11 O95342 1/20 0.73
▸ DHFR P00374 1/20 0.73
▸ MPO P05164 1/20 0.73
▸ CHRM1 P11229 1/20 0.73
▸ AKR1B1 P15121 1/20 0.73
▸ AKR1C2 P52895 1/20 0.73
▸ AKR1C1 Q04828 1/20 0.73
▸ NAPRT Q6XQN6 1/20 0.73

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
SCHEMBL7925344 0.85 PTGS2 (0.76) PTGS2LMNAMEN1KMT2APTGS1
Mefenamic Acid SCHEMBL29350572 0.85 PTGS2 (1.00) PTGS2LMNAMEN1KMT2APTGS1
Mefenamic Acid SCHEMBL29465887 0.85 PTGS2 (1.00) PTGS2LMNAMEN1KMT2APTGS1
Mefenamic Acid SCHEMBL6421234 0.85 PTGS2 (1.00) PTGS2LMNAMEN1KMT2APTGS1
Mefenamic Acid SCHEMBL3544 0.85 PTGS2 (1.00) PTGS2LMNAMEN1KMT2APTGS1
Mefenamic Acid SCHEMBL29355128 0.85 PTGS2 (1.00) PTGS2LMNAMEN1KMT2APTGS1
Mefenamic Acid SCHEMBL29282578 0.83 PTGS2 (0.97) PTGS2LMNAMEN1KMT2APTGS1
Mefenamic Acid SCHEMBL28663310 0.83 PTGS2 (0.97) PTGS2LMNAMEN1KMT2APTGS1
Mefenamic Acid SCHEMBL678182 0.83 PTGS2 (0.97) PTGS2LMNAMEN1KMT2APTGS1
Mefenamic Acid SCHEMBL16179956 0.83 PTGS2 (0.97) PTGS2LMNAMEN1KMT2APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168160-A1 BENZOIC ACID, BENZOIC ACID DERIVATIVES AND HETEROARYL CARBOXYLIC ACID CONJUGATES OF OXYCODONE, PRODRUGS, METHODS OF MAKING AND USE THEREOF ALTER DOMUS (US) LLC 2016-06-16 — — US disclosed
US-20160151352-A1 BENZOIC ACID, BENZOIC ACID DERIVATIVES AND HETEROARYL CARBOXYLIC ACID CONJUGATES OF OXYMORPHONE, PRODRUGS, METHODS OF MAKING AND USE THEREOF ALTER DOMUS (US) LLC 2016-06-02 — — 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-20160151352-A1 BENZOIC ACID, BENZOIC ACID DERIVATIVES AND HETEROARYL CARBOXYLIC ACID CONJUGATES OF OXYMORPHONE, PRODRUGS, METHODS OF MAKING AND USE THEREOF OPRM1, OPRK1, OPRD1 PTGS2 119/4885LMNA 3727/4885MEN1 4821/4885
US-20160168160-A1 BENZOIC ACID, BENZOIC ACID DERIVATIVES AND HETEROARYL CARBOXYLIC ACID CONJUGATES OF OXYCODONE, PRODRUGS, METHODS OF MAKING AND USE THEREOF OPRM1, OPRK1, OPRD1 PTGS2 187/4885LMNA 4458/4885MEN1 4879/4885

“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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