6-Mercaptonicotinic Acid

6-Mercaptonicotinic Acid

SCHEMBL6809889

O=C(O)CC(S)C(=O)O.O=C(O)c1ccc(S)nc1

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
P4HA1 P13674 2/20 0.43
P4HTM Q9NXG6 2/20 0.43
MIF P14174 1/20 0.42
LDHA P00338 1/20 0.41

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
6-Mercaptonicotinic Acid SCHEMBL796849 0.82 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
6-Mercaptonicotinic Acid SCHEMBL31589674 0.82 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
6-Mercaptonicotinic Acid SCHEMBL27863095 0.80 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL133541 0.70
SCHEMBL2103664 0.70
SCHEMBL2259011 0.68 HCAR3 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
6-Mercaptonicotinic Acid SCHEMBL7484954 0.68 ALDH1A1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11582606 0.68 FOLH1 (0.52) ALDH1A1CYP2C9HPGDHSD17B10MAPT
SCHEMBL7899825 0.68 FOLH1 (0.52) ALDH1A1CYP2C9HPGDHSD17B10MAPT
SCHEMBL11410952 0.68 FOLH1 (0.52) ALDH1A1CYP2C9HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040018983-A1 Antifungal compositions ACHILLION PHARMACEUTICALS, INC. 2004-01-29 US claimed
WO-2003055448-A2 ANTIFUNGAL COMPOSITIONS ACHILLION PHARMACEUTICALS, INC. (US) 2003-07-10 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040018983-A1 Antifungal compositions CNBP, ERG28, AEBP2 GABRP 2233/4885GABRD 2380/4885GABRA1 3370/4885

“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.