SCHEMBL7580327

SCHEMBL7580327

CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 20/20 0.66
GABRD O14764 20/20 0.66
GABRA1 P14867 20/20 0.66
GABRB1 P18505 20/20 0.66
GABRG2 P18507 20/20 0.66
GABRB3 P28472 20/20 0.66
GABRA5 P31644 20/20 0.66
GABRA3 P34903 20/20 0.66
GABRA2 P47869 20/20 0.66
GABRB2 P47870 20/20 0.66
GABRA4 P48169 20/20 0.66
GABRE P78334 20/20 0.66
GABRA6 Q16445 20/20 0.66
GABRG1 Q8N1C3 20/20 0.66
GABRG3 Q99928 20/20 0.66
GABRQ Q9UN88 20/20 0.66

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
SCHEMBL7570800 0.92 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7570822 0.86 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6928213 0.79 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6927865 0.77 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7967758 0.76 GABRP (0.78) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6922947 0.76 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6927512 0.75 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6927164 0.75 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6926663 0.74 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6926890 0.74 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448265-B1 CORTICOTROPIN RELEASING FACTOR(CRF); ANTIDEPRESSANT; (5-AMINO-1-(2,6-DICHLORO-4-TRIFLUOROMETHYLPHENYL)-3-METHYLSULFANYL-1H -PYRAZOL-4-YL)-(2,5-DIMETHYLPHENYL)METHANONE FOR EXAMPLE PFIZER, INC. 2002-09-10 US disclosed
US-6441018-B2 TREATMENT OF A WIDE RANGE OF DISEASES INCLUDING STRESS-RELATED ILLNESSES. PFIZER INC. 2002-08-27 US disclosed
US-20020049227-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY FARACI WILLIAM STEPHAN (US) 2002-04-25 US disclosed
US-20020016333-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY FARACI WILLIAM STEPHEN (US) 2002-02-07 US disclosed
US-6103900-A CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST WHICH TREAT STRESS-INDUCED DISEASES PFIZER INC (US) 2000-08-15 US disclosed
US-6005109-A CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY; EFFECTIVE IN THE TREATMENT OF A WIDE RANGE OF DISEASES INCLUDING STRESS-RELATED ILLNESSES PFLIZER INC. (US) 1999-12-21 US disclosed
US-5712303-A ANTIDEPRESSANTS PFIZER INC. (US) 1998-01-27 US disclosed
EP-0674624-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONIST ACTIVITY PFIZER INC. (US) 1995-10-04 EP disclosed
WO-1994013643-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONIST ACTIVITY PFIZER INC. (US) 1994-06-23 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 (2 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-20020016333-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY CRH, CRHR1, CRHR2 GABRP 709/4885GABRD 1471/4885GABRA1 862/4885
US-20020049227-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY CRH, CRHR1, CRHR2 GABRP 709/4885GABRD 1471/4885GABRA1 862/4885

“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.