Sugi Predict

Sugi Predict / Compounds / SCHEMBL1186465

SCHEMBL1186465

SCHEMBL1186465

CC(C)c1ccccc1Nc1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 7/20 0.59
▸ AKR1C3 P42330 4/20 0.57
▸ AKR1C2 P52895 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ AKR1B10 O60218 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ AKR1B1 P15121 2/20 0.57
▸ PTGS2 P35354 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ AKR1C1 Q04828 2/20 0.57
▸ HIF1A Q16665 2/20 0.57
▸ TRPA1 O75762 1/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ DHFR P00374 1/20 0.57
▸ MPO P05164 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ PTGS1 P23219 1/20 0.57

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
SCHEMBL7573481 0.87 CLCN2 (0.53) FABP4AKR1C3AKR1C2MEN1AKR1B10
SCHEMBL355549 0.83 FABP4 (0.80) FABP4AKR1C3AKR1C2MEN1AKR1B10
SCHEMBL30320327 0.83 FABP4 (0.80) FABP4AKR1C3AKR1C2MEN1AKR1B10
SCHEMBL6269689 0.83 FABP4 (0.59) FABP4AKR1C3AKR1C2MEN1AKR1B10
Hydrogen Peroxide SCHEMBL9514730 0.81 ALDH1A1 (0.59) AKR1C3MEN1LMNACYP1A2CYP3A4
SCHEMBL29657201 0.81 ALDH1A1 (0.59) AKR1C3MEN1LMNACYP1A2CYP3A4
SCHEMBL6142375 0.81 FABP4 (0.84) FABP4AKR1C3AKR1C2MEN1AKR1B10
SCHEMBL254364 0.81 ALDH1A1 (0.59) AKR1C3MEN1LMNACYP1A2CYP3A4
Benzene SCHEMBL28132022 0.81 ALDH1A1 (0.59) AKR1C3MEN1LMNACYP1A2CYP3A4
SCHEMBL9691899 0.81 FABP4 (0.77) FABP4AKR1C3AKR1C2MEN1AKR1B10

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-7888509-B2 Chiral 1,8-diarylnaphthalenes, methods of making them, and their use as sensors GEORGETOWN UNIVERSITY (US) 2011-02-15 — — US disclosed
US-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-05-21 — — US disclosed
US-20070276140-A1 Chiral 1,8-Diarylnaphthalenes, Methods of Making Them, and Their Use as Sensors GEORGETOWN UNIVERSITY (US) 2007-11-29 — — US disclosed
WO-2005043124-A2 CHIRAL 1,8-DIARYLNAPHTHALENES, METHODS OF MAKING THEM, AND THEIR USE AS SENSORS GEORGETOWN UNIVERSITY (US) 2005-05-12 — — 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 (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-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME CLIC1, ASIC1, CLIC4 FABP4 1600/4885AKR1C3 787/4885AKR1C2 477/4885
US-20070276140-A1 Chiral 1,8-Diarylnaphthalenes, Methods of Making Them, and Their Use as Sensors ALKBH2, ALKBH1, ALG3 FABP4 3500/4885AKR1C3 447/4885AKR1C2 414/4885

“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.