Sugi Predict

Sugi Predict / Compounds / SCHEMBL7936060

SCHEMBL7936060

SCHEMBL7936060

O=C(CS)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.76
▸ GABRD O14764 2/20 0.76
▸ GABRA1 P14867 2/20 0.76
▸ GABRB1 P18505 2/20 0.76
▸ GABRG2 P18507 2/20 0.76
▸ GABRB3 P28472 2/20 0.76
▸ GABRA5 P31644 2/20 0.76
▸ GABRA3 P34903 2/20 0.76
▸ GABRA2 P47869 2/20 0.76
▸ GABRB2 P47870 2/20 0.76
▸ GABRA4 P48169 2/20 0.76
▸ GABRE P78334 2/20 0.76
▸ GABRA6 Q16445 2/20 0.76
▸ GABRG1 Q8N1C3 2/20 0.76
▸ GABRG3 Q99928 2/20 0.76
▸ GABRQ Q9UN88 2/20 0.76
▸ CYP1A2 P05177 3/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ MAPT P10636 5/20 0.59
▸ ALDH1A1 P00352 3/20 0.59

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
SCHEMBL2991610 0.88 GABRP (0.78) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7934024 0.87 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11061295 0.86 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10813064 0.86 GABRP (0.76) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11824528 0.83 GABRP (0.71) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2987985 0.82 CYP1A2 (0.71) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2982587 0.80 CYP1A2 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9726995 0.79 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11047799 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7931737 0.78 HPGD (0.60) CYP1A2CYP2C19MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 — — US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 — — US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 — — WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 — — 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 GABRP 3746/4885GABRD 2862/4885GABRA1 3743/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 GABRP 446/4885GABRD 380/4885GABRA1 362/4885

“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.