Sugi Predict

Sugi Predict / Compounds / SCHEMBL107955

SCHEMBL107955

SCHEMBL107955

O=C(O)c1ccc(Cl)c(F)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ USP2 O75604 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CLCN2 P51788 2/20 0.42
▸ NOTUM Q6P988 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MYC P01106 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ SORT1 Q99523 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 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
SCHEMBL28580395 0.98 TSHR (0.50) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL20721983 0.84 HPGD (0.55) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL106507 0.83 HPGD (0.44) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL31392754 0.83 CES2 (0.50) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL4847445 0.83 TSHR (0.52) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL2579411 0.83 CES2 (0.50) TSHRALDH1A1TP53CASP1SMN1; SMN2
Hydrochloric Acid SCHEMBL9860913 0.83 HPGD (0.53) TSHRALDH1A1TP53CASP1SMN1; SMN2
Hydrochloric Acid SCHEMBL9860906 0.81 CES2 (0.48) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL28074401 0.81 KMT2A (0.50) ALDH1A1CASP1USP2HPGDCLCN2
SCHEMBL29886586 0.79 TSHR (0.64) TSHRALDH1A1TP53CASP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736083-A Method for preparing 2, 4-dichloro-5-fluorobenzoic acid and 2, 6-dichloro-3-fluorobenzoic acid by taking 2, 4-dichloro-5-fluoroacetophenone crystallization mother liquor as raw material 浙江工业大学 2024-03-22 — — CN disclosed
CN-109553524-B Synthetic method of 2, 4-dichloro-5-fluorobenzoyl chloride 浙江本立科技股份有限公司 2021-11-09 — — CN disclosed
EP-3309161-B1 PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION COMPRISING A P2X7 MODULATOR JANSSEN PHARMACEUTICA NV (BE) 2019-12-18 — — EP disclosed
US-10323032-B2 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 — — US disclosed
EP-3191492-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 — — EP disclosed
US-10150766-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2018-12-11 — — US disclosed
US-10053462-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2018-08-21 — — US disclosed
EP-3321266-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2018-05-16 — — EP disclosed
EP-3309161-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2018-04-18 — — EP disclosed
US-20180072724-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 — — US disclosed
US-20140275120-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 — — US disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 — — US disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 — — US disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 — — US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 — — US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 — — US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 — — US disclosed
EP-2424869-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 — — EP disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 — — WO disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 — — 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 (6 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-10323032-B2 P2X7 Modulators P2RX7, P2RX1, P2RX3 TSHR 2329/4885ALDH1A1 1245/4885TP53 4454/4885
US-10053462-B2 P2X7 modulators P2RX1, P2RX5, P2RX7 TSHR 1088/4885ALDH1A1 997/4885TP53 4177/4885
US-20140275120-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 TSHR 2490/4885ALDH1A1 1351/4885TP53 4615/4885
US-10150766-B2 P2X7 modulators P2RX7, P2RX4, P2RX1 TSHR 2552/4885ALDH1A1 1107/4885TP53 4679/4885
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 TSHR 536/4885ALDH1A1 2283/4885TP53 2110/4885
US-20180072724-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 TSHR 2329/4885ALDH1A1 1245/4885TP53 4454/4885

“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.