Sugi Predict

Sugi Predict / Compounds / SCHEMBL5877892

SCHEMBL5877892

SCHEMBL5877892

O=C(Cc1ccc(Br)cc1)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ MC4R P32245 2/20 0.42
▸ MC3R P41968 2/20 0.42
▸ MC1R Q01726 2/20 0.42
▸ NAAA Q02083 2/20 0.42
▸ GPR183 P32249 2/20 0.42
▸ FAAH O00519 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ CARM1 Q86X55 1/20 0.40
▸ IL6ST P40189 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TACR3 P29371 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
SCHEMBL3658645 1.00 ALDH1A1 (0.46) ALDH1A1HPGDHTTLMNAMAPT
SCHEMBL3658644 1.00 ALDH1A1 (0.46) ALDH1A1HPGDHTTLMNAMAPT
SCHEMBL1915646 0.92 NAAA (0.47) ALDH1A1HPGDMC4RMC3RMC1R
SCHEMBL7346791 0.92 NAAA (0.47) ALDH1A1HPGDMC4RMC3RMC1R
SCHEMBL1915643 0.92 NAAA (0.47) ALDH1A1HPGDMC4RMC3RMC1R
SCHEMBL16307020 0.88 KDM4E (0.44) MC4RMC3RMC1RNAAAFAAH
SCHEMBL13494502 0.88 KDM4E (0.44) MC4RMC3RMC1RNAAAFAAH
SCHEMBL1919141 0.88 KDM4E (0.44) MC4RMC3RMC1RNAAAFAAH
SCHEMBL6788947 0.88 NAAA (0.51) NAAAFAAHNPC1EP300CARM1
SCHEMBL23866771 0.88 NAAA (0.51) ALDH1A1HPGDLMNAMC4RMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212142-A9 Substituted 5-Cyclopropyl-1H-pyrazole-3-yl-amine Derivatives as Selective CDK12/13 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-07-06 — — US disclosed
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 — — US disclosed
US-20060030599-A1 SULPHONAMIDE DERIVATIVES ARNOLD MACKLIN B 2006-02-09 — — US disclosed
EP-1528055-A2 Sulphonamide Derivatives Eli Lilly & Company (US) 2005-05-04 — — EP disclosed
EP-0860428-B1 Sulphonamide derivatives LILLY CO ELI (US) 2004-12-08 — — EP disclosed
US-20040097499-A1 Amide, carbamate, and urea derivatives ARNOLD MACKLIN BRIAN (US) 2004-05-20 — — US disclosed
US-20040054009-A1 (BIS)sulfonamide derivatives KNOBELSDORF JAMES ALLEN (US) 2004-03-18 — — US disclosed
US-6617351-B1 Amide, carbamate, and urea derivatives ELI LILLY AND COMPANY 2003-09-09 — — US disclosed
US-6596716-B2 2-propane-sulphonamide derivatives ELI LILLY AND COMPANY 2003-07-22 — — US disclosed
US-6525099-B1 Potentiating glutamate receptor function; psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-25 — — US disclosed
US-6521605-B1 Potentiating glutamate receptor function; treating such as psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-18 — — US disclosed
US-20020002158-A1 Sulphonamide derivatives ARNOLD MACKLIN B (US) 2002-01-03 — — US disclosed
US-6303816-B1 Sulphonamide derivatives ELI LILLY AND COMPANY 2001-10-16 — — US disclosed
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 — — CN disclosed
WO-2000006176-A1 AMIDOPHOSPHATE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 — — WO disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 — — EP disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 — — EP disclosed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 — — 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 (5 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-20060030599-A1 SULPHONAMIDE DERIVATIVES GRIN2C, GLRA2, GLRA1 ALDH1A1 952/4885HPGD 2958/4885HTT 2170/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 ALDH1A1 655/4885HPGD 3090/4885HTT 3147/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE ALDH1A1 881/4885HPGD 2309/4885HTT 1048/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 ALDH1A1 2582/4885HPGD 2836/4885HTT 377/4885
US-20230212142-A9 Substituted 5-Cyclopropyl-1H-pyrazole-3-yl-amine Derivatives as Selective CDK12/13 Inhibitors CDK1, CDK12, CDK13 ALDH1A1 4706/4885HPGD 1729/4885HTT 4226/4885

“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.