SCHEMBL1800640

SCHEMBL1800640

Cc1sc(NC(=O)CCCCC(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)O)c(C(=O)O)c1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.72
LMNA P02545 6/20 0.72
KDM4E B2RXH2 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
HPGD P15428 6/20 0.67
MAPT P10636 5/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HTT P42858 3/20 0.50
THRB P10828 1/20 0.50
GAA P10253 1/20 0.48
AIP O00170 1/20 0.48
SGTA O43765 1/20 0.48
TOMM70 O94826 1/20 0.48
STIP1 P31948 1/20 0.48
PPP5C P53041 1/20 0.48
FKBP4 Q02790 1/20 0.48
PPID Q08752 1/20 0.48
FKBP5 Q13451 1/20 0.48
FKBP8 Q14318 1/20 0.48

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
SCHEMBL1797219 0.85 ALDH1A1 (0.59) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL13837823 0.83 ALDH1A1 (0.58) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL3611687 0.82 ALDH1A1 (0.57) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL21247046 0.81 ALDH1A1 (0.66) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL13781560 0.77 ALDH1A1 (0.56) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL1799565 0.77 ALDH1A1 (0.50) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL1797214 0.77 ALDH1A1 (0.50) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL1796876 0.77 ALDH1A1 (0.50) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL21247359 0.74 ALDH1A1 (0.58) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL2897457 0.74 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD

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-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 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-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 ALDH1A1 800/4885LMNA 672/4885KDM4E 4309/4885

“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.