SCHEMBL15836677

SCHEMBL15836677

CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCCC3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 1.00
▸ ALDH1A1 P00352 10/20 0.98
▸ RECQL P46063 1/20 0.98
▸ GAA P10253 2/20 0.79
▸ HPGD P15428 2/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ KMT2A Q03164 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ ALOX12 P18054 1/20 0.62
▸ MCL1 Q07820 1/20 0.62
▸ GPR55 Q9Y2T6 1/20 0.60

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
SCHEMBL15836654 0.87 ALDH1A1 (0.98) POLBALDH1A1RECQLGAAHPGD
SCHEMBL15836650 0.87 ALDH1A1 (0.98) POLBALDH1A1RECQLGAAHPGD
SCHEMBL15836683 0.84 ALDH1A1 (0.80) POLBALDH1A1RECQLGAAKMT2A
SCHEMBL15836670 0.79 ALDH1A1 (1.00) POLBALDH1A1RECQLGAAHPGD
SCHEMBL15836690 0.78 POLB (0.64) POLBALDH1A1RECQLGAASMN1; SMN2
SCHEMBL4759272 0.75 KMT2A (0.78) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL15836673 0.74 ALDH1A1 (0.78) POLBALDH1A1RECQLGAAHPGD
SCHEMBL15836668 0.74 ALDH1A1 (0.69) POLBALDH1A1RECQLGAAHPGD
SCHEMBL15836674 0.74 ALDH1A1 (0.63) POLBALDH1A1RECQLGAAHPGD
SCHEMBL15840664 0.74 LMNA (0.72) POLBALDH1A1RECQLGAAHPGD

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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 — — US disclosed
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 — — 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 POLB 3390/4885ALDH1A1 4348/4885RECQL 3452/4885

“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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