SCHEMBL3962346

SCHEMBL3962346

COC(=O)CCCCCNC(=O)c1ccccc1S

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NR1H4 Q96RI1 1/20 0.50
NAAA Q02083 1/20 0.49
HCRTR1 O43613 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
ALOX5 P09917 1/20 0.47
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL3957920 0.99 LMNA (0.55) LMNAALDH1A1SMN1; SMN2NR1H4NAAA
SCHEMBL12062474 0.88 CA1 (0.49) ALDH1A1SMN1; SMN2NR1H4HCRTR1TSHR
SCHEMBL3954494 0.88 ALDH1A1 (0.56) ALDH1A1NAAAHCRTR1TSHRHTT
SCHEMBL823548 0.87 ALOX5 (0.59) ALDH1A1SMN1; SMN2NAAAHCRTR1TSHR
SCHEMBL27506120 0.84 HDAC3 (0.60) LMNAALDH1A1SMN1; SMN2NR1H4NAAA
SCHEMBL26282713 0.84 SMN1; SMN2 (0.62) LMNAALDH1A1SMN1; SMN2NR1H4NAAA
SCHEMBL15127579 0.84 NAAA (0.69) LMNAALDH1A1SMN1; SMN2NR1H4NAAA
SCHEMBL450258 0.83 HPGD (0.61) LMNAALDH1A1SMN1; SMN2NR1H4HTT
SCHEMBL3624207 0.82 NAAA (0.70) LMNAALDH1A1SMN1; SMN2NAAAHCRTR1
SCHEMBL11174324 0.82 NAAA (0.70) LMNAALDH1A1SMN1; SMN2NAAAHCRTR1

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
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 EP disclosed
WO-2009036066-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 LMNA 2498/4885ALDH1A1 2328/4885SMN1; SMN2 3051/4885

“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.