SCHEMBL893242

SCHEMBL893242

CCCCCS(=O)(=O)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
RARB P10826 6/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
RARA P10276 1/20 0.50
MAPT P10636 1/20 0.50
MTOR P42345 1/20 0.50
TSHR P16473 1/20 0.49
PTPN1 P18031 1/20 0.47
TBXA2R P21731 1/20 0.46

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
SCHEMBL894410 0.99 KMT2A (0.59) KMT2ARARBALDH1A1MEN1RARA
SCHEMBL14392781 0.95 KMT2A (0.62) KMT2ARARBALDH1A1MEN1RARA
SCHEMBL11105772 0.85 RARB (0.57) KMT2ARARBALDH1A1MEN1RARA
SCHEMBL7408363 0.84 CYP19A1 (0.47) KMT2ATSHRTBXA2R
SCHEMBL27846645 0.82 FABP4 (0.47)
SCHEMBL28367131 0.82 ALDH1A1 (0.55) KMT2AALDH1A1MEN1MAPTTBXA2R
SCHEMBL10680125 0.81 L3MBTL1 (0.55) KMT2AALDH1A1MEN1PTPN1
SCHEMBL7698661 0.81 HDAC3 (0.56) TSHRPTPN1
SCHEMBL7399025 0.80 KMT2A (0.43) KMT2APTPN1TBXA2R
SCHEMBL16051464 0.79 THRA (0.65)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same FAS SECURED CREDITORS HOLDCO, LLC 2012-04-05 US disclosed
EP-2303013-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, METHODS OF USE FOR SAME, AND METHODS FOR PREPARING SAME Fasgen, Inc. (US) 2011-04-06 EP disclosed
WO-2010005922-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, METHODS OF USE FOR SAME, AND METHODS FOR PREPARING SAME FASGEN, INC. (US) 2010-01-14 WO 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-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same LCAT, DGAT2, SOAT2 KMT2A 1502/4885RARB 4560/4885ALDH1A1 1533/4885

“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.