SCHEMBL15836668

SCHEMBL15836668

CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.69
▸ HPGD P15428 2/20 0.69
▸ GPR55 Q9Y2T6 1/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ LMNA P02545 3/20 0.64
▸ MAPT P10636 2/20 0.64
▸ GAA P10253 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ POLB P06746 3/20 0.60
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ RECQL P46063 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ MCL1 Q07820 1/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ BLM P54132 1/20 0.58

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
SCHEMBL15836639 0.90 ALDH1A1 (0.65) ALDH1A1HPGDKMT2ALMNAMAPT
SCHEMBL15836674 0.87 ALDH1A1 (0.63) ALDH1A1HPGDGPR55KMT2ALMNA
SCHEMBL15836660 0.86 MAPT (0.70) ALDH1A1HPGDGPR55KMT2ALMNA
SCHEMBL15836666 0.85 ALDH1A1 (0.69) ALDH1A1HPGDGPR55KMT2AGAA
SCHEMBL15836670 0.82 ALDH1A1 (1.00) ALDH1A1HPGDGPR55KMT2ALMNA
SCHEMBL15836673 0.80 ALDH1A1 (0.78) ALDH1A1HPGDGPR55KMT2ALMNA
SCHEMBL20657300 0.79 ALDH1A1 (0.73) ALDH1A1HPGDKMT2ALMNAMAPT
SCHEMBL20657301 0.79 ALDH1A1 (0.73) ALDH1A1HPGDKMT2ALMNAMAPT
SCHEMBL20657307 0.78 ALDH1A1 (0.71) ALDH1A1HPGDKMT2ALMNAMAPT
SCHEMBL13212144 0.78 ALDH1A1 (0.71) ALDH1A1HPGDKMT2ALMNAMAPT

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 ALDH1A1 4348/4885HPGD 3480/4885GPR55 2437/4885

“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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