Sugi Predict

Sugi Predict / Compounds / SCHEMBL841045

SCHEMBL841045

SCHEMBL841045

Fc1ccccc1C(Br)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.37
▸ TDO2 P48775 2/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD11B1 P28845 4/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MAPKAPK2 P49137 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ OPRM1 P35372 1/20 0.31

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
SCHEMBL28865878 0.83 CES2 (0.41) CES2CES1P2RX7
SCHEMBL5364419 0.77 IDO1 (0.37) IDO1TDO2ALDH1A1CYP2C9P2RX7
SCHEMBL8911591 0.76 P2RX7 (0.47) IDO1TDO2ALDH1A1GAAHSD11B1
SCHEMBL4428258 0.75 ALDH1A1 (0.46) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL286673 0.75 IDO1 (0.42) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL3154681 0.74 CES2 (0.36) CES2CES1
SCHEMBL127093 0.73 IDO1 (0.41) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL23489959 0.73 CES2 (0.46) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL20238027 0.73 IDO1 (0.41) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL20238028 0.73 IDO1 (0.41) IDO1TDO2CES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3491922-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2019-06-05 — — EP disclosed
EP-3491922-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2019-06-05 — — EP disclosed
EP-2934135-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 — — EP disclosed
EP-2934118-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 — — EP disclosed
EP-2934142-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 — — EP disclosed
EP-2934118-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 — — EP disclosed
EP-2934135-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 — — EP disclosed
US-20180009737-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-11 — — US disclosed
US-20180009737-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-11 — — US disclosed
US-20170267629-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-09-21 — — US disclosed
US-20090281123-A1 NOVEL THIAZOLO (4,5-D) PYRIMIDINE COMPOUNDS NOVEL COMPOUNDS ASTRAZENECA UK LIMITED 2009-11-12 — — US disclosed
US-7560455-B2 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-07-14 — — US disclosed
EP-1348709-B1 Thiazolo[4,5-d]pyrimidine compounds for the treatment of rheumatoid arthritis ASTRAZENECA UK LTD (GB) 2008-01-16 — — EP disclosed
US-20060258646-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-11-16 — — US disclosed
US-20040224961-A1 Novel thiazolo (4,5-D) pyrimidine compounds ASTRAZENECA UK LIMITED, A BRITISH CORPORATION 2004-11-11 — — US disclosed
US-6790850-B1 Thiazolo(4,5-d)pyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2004-09-14 — — US disclosed
EP-1222195-B1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2004-01-14 — — EP disclosed
EP-1348709-A2 Thiazolo (4,5-D) pyrimidine compounds AstraZeneca UK Limited (GB) 2003-10-01 — — EP disclosed
EP-1222195-A1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS AstraZeneca UK Limited (GB) 2002-07-17 — — EP disclosed
WO-2001025242-A1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2001-04-12 — — 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 (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-20170267629-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS IDO1 237/4885TDO2 729/4885CES2 394/4885
US-20040224961-A1 Novel thiazolo (4,5-D) pyrimidine compounds TYMS, DPYD, TYMP IDO1 2200/4885TDO2 952/4885CES2 4128/4885
US-20090281123-A1 NOVEL THIAZOLO (4,5-D) PYRIMIDINE COMPOUNDS NOVEL COMPOUNDS TYMS, DPYD, TPMT IDO1 2580/4885TDO2 964/4885CES2 4194/4885
US-20180009737-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD IDO1 176/4885TDO2 899/4885CES2 1473/4885
US-20060258646-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 IDO1 892/4885TDO2 910/4885CES2 1981/4885

“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.