SCHEMBL7822012

SCHEMBL7822012

O=C(COc1ccccc1)NC(=S)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.76
MAPT P10636 10/20 0.76
SMN1; SMN2 Q16637 3/20 0.74
HTT P42858 2/20 0.74
HPGD P15428 2/20 0.74
KMT2A Q03164 5/20 0.70
MEN1 O00255 4/20 0.70
NPSR1 Q6W5P4 3/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 2/20 0.61
THRB P10828 1/20 0.59
GAA P10253 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
RAB9A P51151 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
PKM P14618 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
MLYCD O95822 1/20 0.55
NPC1 O15118 1/20 0.55

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
SCHEMBL14096020 0.90 ALDH1A1 (0.75) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL14096043 0.88 MAPT (0.80) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL4364686 0.88 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL4361501 0.88 MAPT (0.72) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL5450484 0.86 MAPT (0.74) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL4370661 0.86 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL14096475 0.86 MAPT (0.70) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL14096016 0.86 MAPT (0.74) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL14096030 0.85 MAPT (0.69) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL14096026 0.85 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2HTTHPGD

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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 ALDH1A1 2930/4885MAPT 4038/4885SMN1; SMN2 4344/4885

“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.