SCHEMBL15836649

SCHEMBL15836649

CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.70
▸ KMT2A Q03164 7/20 0.70
▸ MEN1 O00255 4/20 0.70
▸ GPR55 Q9Y2T6 3/20 0.70
▸ POLB P06746 2/20 0.67
▸ MAPT P10636 7/20 0.61
▸ ALOX12 P18054 5/20 0.61
▸ NPSR1 Q6W5P4 5/20 0.61
▸ LMNA P02545 4/20 0.61
▸ HTT P42858 2/20 0.61
▸ ATM Q13315 1/20 0.60
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ PTGER2 P43116 1/20 0.54
▸ BLM P54132 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL15836672 0.93 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1GPR55POLB
SCHEMBL13454564 0.83 MAPT (0.85) ALDH1A1KMT2AMEN1GPR55MAPT
SCHEMBL15836657 0.82 MAPT (0.68) ALDH1A1KMT2AMEN1GPR55POLB
SCHEMBL15836684 0.80 SMN1; SMN2 (0.81) ALDH1A1KMT2AMEN1GPR55POLB
SCHEMBL15836653 0.79 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1GPR55POLB
SCHEMBL13454566 0.77 MAPT (1.00) ALDH1A1KMT2AMEN1GPR55MAPT
SCHEMBL13454394 0.76 MAPT (0.78) ALDH1A1KMT2AMEN1GPR55MAPT
SCHEMBL14096628 0.76 MAPT (0.78) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL15836658 0.76 SMN1; SMN2 (0.73) ALDH1A1KMT2AMEN1GPR55MAPT
SCHEMBL15836691 0.76 KMT2A (1.00) ALDH1A1KMT2AMEN1GPR55POLB

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 4348/4885KMT2A 3667/4885MEN1 3121/4885

“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