Sugi Predict

Sugi Predict / Compounds / SCHEMBL17488474

SCHEMBL17488474

SCHEMBL17488474

COc1ccc2cc([C@H](C)C(=O)N[C@H](C(=O)O)C(C)C)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.68
▸ AKR1C3 P42330 3/20 0.68
▸ AKR1C2 P52895 3/20 0.68
▸ PTGS1 P23219 2/20 0.68
▸ TSHR P16473 2/20 0.68
▸ CDC42 P60953 1/20 0.68
▸ RAC1 P63000 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ SLC22A6 Q4U2R8 1/20 0.68
▸ LMNA P02545 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ RIOK2 Q9BVS4 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ SMYD3 Q9H7B4 1/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ ALOX5 P09917 1/20 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
SCHEMBL15160955 0.90 PTGS2 (0.59) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL7960070 0.88 GPR88 (0.59) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL15160899 0.85 PTGS2 (0.54) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL17488483 0.85 PTGS2 (0.54) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL27277917 0.85 PTGS2 (0.68) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL11114734 0.82 AKR1C3 (0.64) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL27100309 0.82 PTGS2 (0.59) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL42434 0.81 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL616149 0.81 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL10029028 0.81 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR

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-10752582-B2 Augmenting moieties for anti-inflammatory compounds LEHIGH UNIVERSITY (US) 2020-08-25 — — US disclosed
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2017-02-16 — — US disclosed
US-9512068-B2 Augmenting moieties for anti-inflammatory compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-06 — — US disclosed
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2016-02-04 — — 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 (3 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-10752582-B2 Augmenting moieties for anti-inflammatory compounds PTGES, PTGES3, LRBA PTGS2 29/4885AKR1C3 206/4885AKR1C2 323/4885
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, ICAM1, VCAM1 PTGS2 12/4885AKR1C3 1710/4885AKR1C2 2472/4885
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, PTGES3, LRBA PTGS2 29/4885AKR1C3 206/4885AKR1C2 323/4885

“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.