SCHEMBL6158417

SCHEMBL6158417

O=C(SC1CC(=O)N(Cc2ccc(Oc3ccccc3)cc2)C1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP2 P08253 2/20 0.40
EGLN1 Q9GZT9 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
LTA4H P09960 1/20 0.40
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL6160144 0.87 SMN1; SMN2 (0.45) HPGDTSHRSMN1; SMN2HTTTDP1
SCHEMBL6158416 0.87 SMN1; SMN2 (0.45) HPGDTSHRSMN1; SMN2HTTTDP1
SCHEMBL6158423 0.87 SMN1; SMN2 (0.45) HPGDTSHRSMN1; SMN2HTTTDP1
SCHEMBL6158490 0.85 TSHR (0.44) HPGDTSHRSMN1; SMN2HTTKMT2A
SCHEMBL6158330 0.84 HPGD (0.49) HPGDTSHRSMN1; SMN2HTTKMT2A
SCHEMBL6158326 0.84 HPGD (0.49) HPGDTSHRSMN1; SMN2HTTKMT2A
SCHEMBL6159525 0.84 HPGD (0.49) HPGDTSHRSMN1; SMN2HTTKMT2A
SCHEMBL6162314 0.84 PKM (0.41) HPGDTSHRSMN1; SMN2HTTTDP1
SCHEMBL6158751 0.84 PKM (0.48) SMN1; SMN2HTTKMT2ANPC1ALDH1A1
SCHEMBL6158911 0.83 LMNA (0.42) HPGDTSHRSMN1; SMN2HTTKMT2A

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-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 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 (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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 HPGD 887/4885TSHR 1971/4885SMN1; SMN2 3819/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 HPGD 793/4885TSHR 1888/4885SMN1; SMN2 3509/4885

“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.