SCHEMBL13100463

SCHEMBL13100463

CCCCN(C)S(=O)(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DNM1 Q05193 3/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL23872392 0.93 DNM1 (0.41) MEN1KMT2ATP53DNM1CA2
SCHEMBL24571657 0.86 CA1 (0.40) CA1CA2CA12
SCHEMBL24571565 0.85 TSHR (0.36) CA1CA2MAPT
SCHEMBL12448155 0.82 ALDH1A1 (0.38) DNM1CA2CA12CA9
SCHEMBL25927628 0.80 LMNA (0.32)
SCHEMBL13100465 0.79 TP53 (0.39) TP53TDP1CA1CA2CA12
SCHEMBL19869629 0.76 CA12 (0.35) CA2CA12CA9
SCHEMBL13100466 0.76 KDM4E (0.39) TP53TDP1CA1CA2CA12
SCHEMBL13301125 0.75
SCHEMBL16090593 0.75 MEN1 (0.42) MEN1KMT2ATDP1DNM1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428473-B2 Methods and intermediates for preparing pharmaceutical agents GILEAD SCIENCES, INC. (US) 2016-08-30 US disclosed
US-20160002186-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. 2016-01-07 US disclosed
US-9115100-B2 Methods and intermediates for preparing pharmaceutical agents GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
US-20150005493-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. 2015-01-01 US disclosed
US-8853210-B2 Methods and intermediates for preparing pharmaceutical agents GILEAD SCIENCES, INC. (US) 2014-10-07 US disclosed
US-20140088304-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. (US) 2014-03-27 US disclosed
US-8497396-B2 Methods and intermediates for preparing pharmaceutical agents GILEAD SCIENCES, INC. (US) 2013-07-30 US disclosed
US-20100256366-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. 2010-10-07 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-20150005493-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS CYP2F1, UGT1A1, CYP3A7 MEN1 366/4885KMT2A 4442/4885TP53 1358/4885
US-20100256366-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS CYP2F1, UGT1A1, CYP3A7 MEN1 366/4885KMT2A 4442/4885TP53 1358/4885
US-20140088304-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS CYP2F1, UGT1A1, CYP3A7 MEN1 366/4885KMT2A 4442/4885TP53 1358/4885
US-20160002186-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS CYP2F1, UGT1A1, CYP3A7 MEN1 366/4885KMT2A 4442/4885TP53 1358/4885

“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.