Sugi Predict

Sugi Predict / Compounds / SCHEMBL3689393

SCHEMBL3689393

SCHEMBL3689393

CCOC(=O)Cn1nc(C(F)(F)F)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ TRPM2 O94759 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ TP53 P04637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.40

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
SCHEMBL15875210 0.86 TP53 (0.48) LMNATSHRTP53L3MBTL1KDM4E
SCHEMBL1834368 0.84 LMNA (0.47) LMNATRPM2TSHRTP53L3MBTL1
SCHEMBL2585488 0.83 TSHR (0.46) LMNATRPM2TSHRTP53L3MBTL1
SCHEMBL2586535 0.83 LMNA (0.46) LMNATRPM2TSHRTP53L3MBTL1
SCHEMBL12636204 0.82 CYP2C19 (0.46) LMNATRPM2TSHRTP53L3MBTL1
SCHEMBL15230007 0.81 HDAC3 (0.49) TRPM2TSHRKDM4EPTGS2MAPK1
SCHEMBL11630080 0.81 MAPK1 (0.47) TSHRL3MBTL1KDM4EHPGDPOLB
SCHEMBL13169955 0.81 LMNA (0.45) LMNATSHRTP53L3MBTL1KDM4E
SCHEMBL14488613 0.80 TP53 (0.46) LMNATRPM2TSHRTP53L3MBTL1
SCHEMBL21768425 0.80 KDM4E (0.54) LMNATSHRTP53L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
CN-106986866-B Fungicidal azacyclic amides 杜邦公司 2020-03-03 — — CN disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 — — EP disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 — — US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 — — EP disclosed
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-20 — — US disclosed
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 — — US disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 — — US disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 — — WO disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 — — US disclosed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 — — EP disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 — — US disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 — — WO disclosed
WO-2008013622-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 — — 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 (7 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN LMNA 3182/4885TRPM2 2456/4885TSHR 4824/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN LMNA 3182/4885TRPM2 2456/4885TSHR 4824/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 LMNA 3574/4885TRPM2 3694/4885TSHR 3187/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 LMNA 2648/4885TRPM2 3657/4885TSHR 2769/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 LMNA 3574/4885TRPM2 3694/4885TSHR 3187/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN LMNA 3182/4885TRPM2 2456/4885TSHR 4824/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN LMNA 3182/4885TRPM2 2456/4885TSHR 4824/4885

“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.