SCHEMBL16692031

SCHEMBL16692031

C/C(=N\NC(=O)CC(C)(C)SCc1ccc(C)cc1)c1ccc(OCCCC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL16690652 0.93 MAPT (0.52) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL18037723 0.93 MAPT (0.52) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL16692026 0.90 MEN1 (0.45) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL18082365 0.86 MAPT (0.53) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL14616550 0.83 MAPT (0.53) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL14616551 0.82 LMNA (0.47) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL15290549 0.82 LMNA (0.46) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL14642673 0.80 LMNA (0.44) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL17236156 0.80 MAPT (0.50) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL12679100 0.80 MAPT (0.50) MEN1KMT2ALMNAPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134656-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES PFIZER INC. (US) 2018-05-17 — — US disclosed
US-9902691-B2 Intermediates and methods for synthesizing calicheamicin derivatives PFIZER INC. (US) 2018-02-27 — — US disclosed
US-9872922-B2 Anti-EFNA4 antibody-drug conjugates PFIZER INC. (US) 2018-01-23 — — US disclosed
US-20170072066-A1 ANTI-EFNA4 ANTIBODY-DRUG CONJUGATES PFIZER, INC. (US) 2017-03-16 — — US disclosed
US-20160251389-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES PFIZER INC. (US) 2016-09-01 — — US disclosed
US-9381205-B2 Anti-EFNA4 antibody-drug conjugates PFIZER, INC. (US) 2016-07-05 — — US disclosed
US-20150125472-A1 ANTI-EFNA4 ANTIBODY-DRUG CONJUGATES STEM CENTRX, INC. (US) 2015-05-07 — — 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-20160251389-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES CALR, CALD1, CYCS MEN1 3898/4885KMT2A 4788/4885LMNA 1521/4885
US-20180134656-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES CALR, CALD1, CYCS MEN1 3898/4885KMT2A 4788/4885LMNA 1521/4885
US-20170072066-A1 ANTI-EFNA4 ANTIBODY-DRUG CONJUGATES EFNA1, ACTN4, AFF4 MEN1 3636/4885KMT2A 2007/4885LMNA 686/4885
US-20150125472-A1 ANTI-EFNA4 ANTIBODY-DRUG CONJUGATES EFNA1, ACTN4, AFF4 MEN1 3636/4885KMT2A 2007/4885LMNA 686/4885

“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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