Sugi Predict

Sugi Predict / Compounds / SCHEMBL2095433

SCHEMBL2095433

SCHEMBL2095433

CC=C(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.58
▸ SRD5A2 P31213 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ MAOB P27338 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KCNK3 O14649 1/20 0.47
▸ P2RX1 P51575 1/20 0.46
▸ NQO2 P16083 1/20 0.46
▸ GAA P10253 1/20 0.45

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
SCHEMBL4414992 1.00 CES2 (0.58) CES2SRD5A2ALDH1A1MAOBLMNA
SCHEMBL19592309 0.81 CES2 (0.58) CES2SRD5A2ALDH1A1MAOBLMNA
SCHEMBL17894211 0.80 CES2 (0.62) CES2SRD5A2ALDH1A1MAOBLMNA
SCHEMBL2097828 0.79 CES2 (0.52) CES2P2RX1GAA
SCHEMBL10842400 0.79 CES2 (0.67) CES2SRD5A2ALDH1A1MAOBLMNA
SCHEMBL33123 0.79 NQO2 (0.58) CES2SRD5A2ALDH1A1MAOBLMNA
SCHEMBL28795999 0.78 ALDH1A1 (0.65) CES2SRD5A2ALDH1A1MAOBLMNA
SCHEMBL7447900 0.78 CES2 (0.64) CES2SRD5A2ALDH1A1LMNANPSR1
SCHEMBL20924840 0.78 CES2 (0.59) CES2SRD5A2ALDH1A1MAOBLMNA
SCHEMBL16474147 0.77 MAPK14 (0.50) ALDH1A1MAOBNPSR1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848441-B N-substituted benzoyl hydrazone compound and preparation method and application thereof 山东中新科农生物科技有限公司 2023-02-17 — — CN claimed
CN-111848441-A N-substituted benzoyl hydrazone compound and preparation method and application thereof 朱翠萍 2020-10-30 — — CN claimed
CN-111848441-B N-substituted benzoyl hydrazone compound and preparation method and application thereof 山东中新科农生物科技有限公司 2023-02-17 — — CN disclosed
CN-111848441-A N-substituted benzoyl hydrazone compound and preparation method and application thereof 朱翠萍 2020-10-30 — — CN disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 — — US disclosed
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 — — EP disclosed
EP-2098508-A1 Cyclic derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2009-09-09 — — EP disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 — — EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 — — US disclosed
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 — — US disclosed
US-7338947-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2008-03-04 — — US disclosed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 — — US disclosed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 — — US disclosed
EP-1606255-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-02-07 — — EP disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
EP-1606255-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2005-12-21 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — WO disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 — — US disclosed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 — — 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 (4 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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CES2 2825/4885SRD5A2 1027/4885ALDH1A1 1195/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CES2 2992/4885SRD5A2 1001/4885ALDH1A1 1039/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CES2 2243/4885SRD5A2 405/4885ALDH1A1 412/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CES2 2825/4885SRD5A2 1027/4885ALDH1A1 1195/4885

“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.