Sugi Predict

Sugi Predict / Compounds / SCHEMBL3469941

SCHEMBL3469941

SCHEMBL3469941

N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 1/20 0.62
▸ CA12 O43570 3/20 0.56
▸ CA9 Q16790 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ AR P10275 2/20 0.52
▸ RAB9A P51151 1/20 0.47
▸ AGER Q15109 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HSD17B3 P37058 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ ATM Q13315 1/20 0.46

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
SCHEMBL30056211 0.91 MAP2K1 (0.61) MAP2K1CA12CA9ALDH1A1KDM4E
SCHEMBL30819649 0.86 MAP2K1 (0.63) MAP2K1CA12CA9ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL380768 0.86 RAB9A (0.61) CA12CA9ALDH1A1KDM4EMEN1
SCHEMBL17460094 0.85 ALDH1A1 (0.55) MAP2K1CA12CA9ALDH1A1KDM4E
SCHEMBL29544001 0.84 RAB9A (0.67) CA12CA9ALDH1A1KDM4EMEN1
SCHEMBL3992539 0.84 RAB9A (0.67) CA12CA9ALDH1A1KDM4EMEN1
SCHEMBL5308606 0.84 RAB9A (0.67) CA12CA9ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL29398661 0.83 RAB9A (0.66) CA12CA9ALDH1A1KDM4EMEN1
SCHEMBL11174507 0.83 MAP2K1 (0.65) MAP2K1CA12CA9ALDH1A1KDM4E
SCHEMBL3081887 0.82 RAB9A (0.70) MAP2K1CA12CA9ALDH1A1KDM4E

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561565-A2 NOVEL DPP1 INHIBITORS AND USES THEREOF Insmed Incorporated (US) 2025-06-04 — — EP disclosed
WO-2024026433-A2 NOVEL DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-02-01 — — WO disclosed
US-8476011-B1 Construction and use of catalogued nucleic acid libraries that contain advantageously adjusted representations of defined components BP CORPORATION NORTH AMERICA INC. (US) 2013-07-02 — — US disclosed
EP-1696025-B1 Screening methods for enzymes and enzyme kits VERENIUM CORP (US) 2010-04-21 — — EP disclosed
US-20070231820-A1 P450 ENZYMES, NUCLEIC ACIDS ENCODING THEM AND METHODS OF MAKING AND USING THEM DIVERSA CORPORATION (US) 2007-10-04 — — US disclosed
US-7232672-B2 P450 enzymes, nucleic acids encoding them and methods of making and using them DIVERSA CORPORATION (US) 2007-06-19 — — US disclosed
EP-0839185-B1 SCREENING METHODS FOR ENZYMES AND ENZYME KITS DIVERSA CORP (US) 2006-11-22 — — EP disclosed
EP-1696025-A2 Screening methods for enzymes and enzyme kits DIVERSA CORPORATION (US) 2006-08-30 — — EP disclosed
US-20060094033-A1 Screening methods and libraries of trace amounts of DNA from uncultivated microorganisms VERENIUM CORPORATION 2006-05-04 — — US disclosed
US-20060088821-A1 Construction and use of catalogued nucleic acid libraries that contain advantageously adjusted representations of defined components DIVERSA CORPORATION (US) 2006-04-27 — — US disclosed
US-5958672-A CULTURING GENE EXPRESSION LIBRARY COMPRISING A POOL OF EXPRESSION VECTORS CONTAINING COMPLEMENTARY OR GENOMIC DNA FRAGMENTS FROM DONOR ORGANISMS, DETECTING THE CODED PROTEIN ACTIVITY (E.G. ENZYME ACTIVITY); FOR NOVEL COMPOUNDS DIVERSA CORPORATION (US) 1999-09-28 — — US disclosed
WO-1999045154-A1 PRODUCTION AND USE OF NORMALIZED DNA LIBRARIES DIVERSA CORPORATION (US) 1999-09-10 — — WO disclosed
US-5939250-A SCREENING CLONE LIBRARY FROM MICROORGANISM, INDUCING MUTATIONS; ANTITUMOR AGENTS, ANTIBIOTICS, ANTICARCINOGENIC AGENTS, VIRICIDES, IMMUNOSUPPRESSANTS, AND VETERINARY MEDICINE DIVERSA CORPORATION (US) 1999-08-17 — — US disclosed
EP-0923598-A1 PRODUCTION AND USE OF NORMALIZED DNA LIBRARIES DIVERSA CORPORATION (US) 1999-06-23 — — EP disclosed
EP-0866853-A1 METHOD OF SCREENING FOR ENZYME ACTIVITY Recombinant Biocatalysis Inc. (US) 1998-09-30 — — EP disclosed
US-5763239-A ISOLATING GENOMIC DNA POPULATION FROM ENVIRONMENTAL SAMPLE, ANALYZING COMPLEXITY, AMPLIFYING COPY NUMBER OR RECOVERING FRACTION HAVING DESIRED CHARACTERISTIC, NORMALIZING REPRESENTATION DIVERSA CORPORATION (US) 1998-06-09 — — US disclosed
EP-0839185-A1 SCREENING METHODS FOR ENZYMES AND ENZYME KITS Recombinant Biocatalysis Inc. (US) 1998-05-06 — — EP disclosed
WO-1997048717-A1 PRODUCTION AND USE OF NORMALIZED DNA LIBRARIES RECOMBINANT BIOCATALYSIS, INC. (US) 1997-12-24 — — WO disclosed
WO-1997020918-A1 METHOD OF SCREENING FOR ENZYME ACTIVITY RECOMBINANT BIOCATALYSIS, INC. (US) 1997-06-12 — — WO disclosed
WO-1997004077-A1 SCREENING METHODS FOR ENZYMES AND ENZYME KITS RECOMBINANT BIOCATALYSIS, INC. (US) 1997-02-06 — — 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-20070231820-A1 P450 ENZYMES, NUCLEIC ACIDS ENCODING THEM AND METHODS OF MAKING AND USING THEM CYP2F1, CYP21A2, CYP2E1 MAP2K1 3554/4885CA12 2416/4885CA9 1939/4885

“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.