Sugi Predict

Sugi Predict / Compounds / SCHEMBL3740447

SCHEMBL3740447

SCHEMBL3740447

CC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ PDE2A O00408 1/20 0.42
▸ GPR35 Q9HC97 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ GABRA4 P48169 2/20 0.40
▸ GABRE P78334 2/20 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
SCHEMBL8561329 0.81 ALDH1A1 (0.46) CES2ALDH1A1PDE2AGPR35MAPT
SCHEMBL320103 0.81 GABRP (0.48) CES2ALDH1A1PDE2AGPR35GABRP
SCHEMBL22093115 0.79 GAA (0.45) CES2ALDH1A1GPR35MAPTSMN1; SMN2
SCHEMBL23364827 0.78 CES2 (0.46) CES2ALDH1A1GPR35MAPTKMT2A
SCHEMBL18243875 0.77 DDR1 (0.45) CES2ALDH1A1PDE2AGPR35MAPT
SCHEMBL30628783 0.77 CES2 (0.47) CES2GPR35MAPTKMT2AMEN1
Acetic Acid SCHEMBL27943626 0.76 GABRP (0.45) CES2ALDH1A1PDE2AGPR35MAPT
SCHEMBL8791930 0.76 GABRB3 (0.42) CES2ALDH1A1PDE2AGPR35MAPT
SCHEMBL2093961 0.75 KMT2A (0.44) ALDH1A1MAPTSMN1; SMN2MAPK1KMT2A
SCHEMBL423115 0.75 GABRP (0.44) CES2GPR35MAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 — — US disclosed
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 — — EP disclosed
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2009-03-05 — — US disclosed
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 — — US disclosed
US-5739083-A LOW IN TOXICITY AND PERSISTENCE OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1998-04-14 — — US disclosed
EP-0802191-A1 PYRAZOLE DERIVATIVES AND INSECTICIDAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-10-22 — — EP 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 (3 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-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP CES2 1644/4885ALDH1A1 603/4885PDE2A 253/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP CES2 1644/4885ALDH1A1 603/4885PDE2A 253/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP CES2 1644/4885ALDH1A1 603/4885PDE2A 253/4885

“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.