SCHEMBL10037241

SCHEMBL10037241

O=C1c2ccccc2C(=O)N1OCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.48
▸ KIF11 P52732 6/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 1/20 0.38

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
SCHEMBL22326350 0.76 GAA (0.88) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL6337358 0.76 GAA (0.62) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL19978728 0.76 CYP1A2 (0.65) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL26186830 0.74 CYP1A2 (0.60) CYP1A2MEN1MAPTKMT2ANPC1
SCHEMBL3066754 0.74 GAA (0.65) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL1534306 0.74 ALOX12 (0.56) KIF11SMN1; SMN2
SCHEMBL17395725 0.73 GAA (0.59) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL25399580 0.73 CYP1A2 (0.55) CYP1A2ALDH1A1MAPTNPC1CASP3
SCHEMBL6570943 0.73 GAA (0.74) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL6303538 0.72 RECQL (0.43) GAACYP1A2ALDH1A1KIF11CYP2C9

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-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 — — US disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 — — 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-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL GAA 1163/4885CYP1A2 946/4885ALDH1A1 533/4885

“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.

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