SCHEMBL7229223

SCHEMBL7229223

COC(=O)c1ccccc1C(=S)Nc1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ GSTO1 P78417 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.55
▸ SLC6A2 P23975 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ AR P10275 1/20 0.54
▸ MEN1 O00255 7/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ CSNK2A1 P68400 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CSNK2A2 P19784 1/20 0.49

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
SCHEMBL7235764 0.89 RAB9A (0.77) RAB9ANPC1GSTO1TDP1SLC6A2
SCHEMBL7237268 0.88 RAB9A (0.79) RAB9ANPC1GSTO1TDP1AR
SCHEMBL7233250 0.79 RAB9A (0.63) RAB9ANPC1GSTO1SLC6A2SLC6A4
SCHEMBL7235879 0.78 RAB9A (0.64) RAB9ANPC1GSTO1TDP1SLC6A2
SCHEMBL7253225 0.77 RAB9A (0.70) RAB9ANPC1GSTO1ARMEN1
SCHEMBL30581066 0.77 RAB9A (0.78) RAB9ANPC1GSTO1ARMEN1
SCHEMBL25614240 0.77 MAOA (0.66) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7239062 0.76 RAB9A (1.00) RAB9ANPC1GSTO1ARMEN1
SCHEMBL7238490 0.76 CSNK2A1 (0.61) RAB9ANPC1GSTO1TDP1SLC6A2
SCHEMBL24026399 0.76 RAB9A (0.74) RAB9ANPC1GSTO1ARMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 — — US 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 (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-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 RAB9A 3964/4885NPC1 2716/4885GSTO1 1600/4885

“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.

Send feedback