SCHEMBL1614632

SCHEMBL1614632

CC(=O)OC(C)C#CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.31

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
SCHEMBL1614629 1.00 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9615770 0.83 TSHR (0.55) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL576505 0.76
SCHEMBL969351 0.74
SCHEMBL31688091 0.74 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL31688088 0.74 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4969274 0.73 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL31688063 0.73 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5038678 0.71 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1614411 0.71 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309599-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-11-13 US disclosed
US-20110086909-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-04-14 US disclosed
US-7825267-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-11-02 US disclosed
US-20080096879-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-04-24 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 (2 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-20080096879-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY RBM17, SF3B1, RTCB TSHR 1762/4885CHRM2 4880/4885CHRM4 4568/4885
US-20110086909-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY RBM17, SF3B1, RTCB TSHR 1762/4885CHRM2 4880/4885CHRM4 4568/4885

“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.