SCHEMBL1206159

SCHEMBL1206159

CCC(=O)NC(=Cc1cc(C)c(OCc2ccccc2)c(Cl)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.55
▸ MCL1 Q07820 1/20 0.53
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TAOK1 Q7L7X3 1/20 0.38
▸ TAOK3 Q9H2K8 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ PTPN7 P35236 1/20 0.38
▸ PTPN12 Q05209 1/20 0.38
▸ PTPN22 Q9Y2R2 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
SCHEMBL2086165 0.88 RECQL (0.44) RECQLMCL1MRGPRX4LMNAHPGD
SCHEMBL3517579 0.82 MCL1 (0.57) RECQLMCL1MRGPRX4LMNAALDH1A1
SCHEMBL3517578 0.82 MCL1 (0.57) RECQLMCL1MRGPRX4LMNAALDH1A1
SCHEMBL1206157 0.82 MCL1 (0.57) RECQLMCL1MRGPRX4LMNAALDH1A1
SCHEMBL3829792 0.82 MCL1 (0.56) RECQLMCL1LMNAALDH1A1KDM4E
SCHEMBL3520400 0.80 RECQL (0.53) RECQLMCL1MRGPRX4LMNAALDH1A1
SCHEMBL3520402 0.80 RECQL (0.53) RECQLMCL1MRGPRX4LMNAALDH1A1
SCHEMBL3520399 0.80 RECQL (0.53) RECQLMCL1MRGPRX4LMNAALDH1A1
SCHEMBL1206816 0.77 TSHR (0.38) RECQLMCL1ALDH1A1KDM4EMAPT
SCHEMBL2087308 0.77 MCL1 (0.66) RECQLMCL1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 — — US disclosed
US-7858622-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 — — US disclosed
US-20100004228-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-07 — — US disclosed
US-7579341-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-25 — — US disclosed
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-01 — — 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 (3 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-20100004228-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA RECQL 383/4885MCL1 4206/4885MRGPRX4 18/4885
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA RECQL 383/4885MCL1 4206/4885MRGPRX4 18/4885
US-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA RECQL 383/4885MCL1 4206/4885MRGPRX4 18/4885

“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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