SCHEMBL3961060

SCHEMBL3961060

Nc1ccccc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
KMT2A Q03164 7/20 0.64
MEN1 O00255 4/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
RECQL P46063 1/20 0.64
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
THRB P10828 1/20 0.59
OPRK1 P41145 1/20 0.55
MAPT P10636 1/20 0.53
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
BACE1 P56817 1/20 0.51
SIGMAR1 Q99720 2/20 0.51
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL6965515 0.82 HTT (0.85) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL6749288 0.81 HTT (0.65) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL3958348 0.81 KMT2A (0.65) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL29904723 0.80 MAPT (0.56) HTTKMT2AMEN1RECQLALDH1A1
SCHEMBL6216811 0.80 MAPT (0.56) HTTKMT2AMEN1RECQLALDH1A1
SCHEMBL6335815 0.79 HTT (0.67) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL9220970 0.79 HTT (0.63) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL2961446 0.79 HTR1A (0.61) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL2961452 0.79 HTR1A (0.61) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL12131771 0.78 KMT2A (0.64) HTTKMT2AMEN1CYP3A4CYP2D6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS HTT 2686/4885KMT2A 2685/4885MEN1 596/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 HTT 3314/4885KMT2A 2655/4885MEN1 790/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS HTT 3583/4885KMT2A 2610/4885MEN1 984/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 HTT 3314/4885KMT2A 2655/4885MEN1 790/4885

“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.