SCHEMBL12903191

SCHEMBL12903191

Cc1ccc(NC(=O)c2cc(NC(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)cc4)cc(C(=O)Nc4ccccc4S(=O)(=O)O)c3)cc(C(=O)Nc3ccc(S(=O)(=O)O)cc3S(=O)(=O)O)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 6/20 0.72
MEN1 O00255 4/20 0.54
RECQL P46063 4/20 0.54
KMT2A Q03164 4/20 0.54
HSD17B10 Q99714 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
MAPT P10636 4/20 0.54
CYP1A2 P05177 3/20 0.54
PKM P14618 3/20 0.54
BRCA1 P38398 3/20 0.54
P2RX1 P51575 3/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
NFKB1 P19838 2/20 0.54
APEX1 P27695 2/20 0.54
CYP2C19 P33261 2/20 0.54
STAT1 P42224 2/20 0.54

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
SCHEMBL12903193 0.92 TIMP3 (0.62) TIMP3MEN1RECQLKMT2AHSD17B10
SCHEMBL12410284 0.87 TIMP3 (0.86) TIMP3MEN1RECQLKMT2AHSD17B10
SCHEMBL12410283 0.86 TIMP3 (0.75) TIMP3MEN1RECQLKMT2AHSD17B10
SCHEMBL16921052 0.86 TIMP3 (0.75) TIMP3MEN1RECQLKMT2AHSD17B10
SCHEMBL12903190 0.85 TIMP3 (0.78) TIMP3MEN1RECQLKMT2AMAPT
SCHEMBL1902159 0.85 TIMP3 (1.00) TIMP3MEN1RECQLKMT2AHSD17B10
SCHEMBL7234616 0.82 FGF1 (0.62) TIMP3MEN1RECQLKMT2AHSD17B10
SCHEMBL17903022 0.80 TIMP3 (0.48) TIMP3MEN1RECQLKMT2AHSD17B10
SCHEMBL21645072 0.78 RECQL (0.86) TIMP3MEN1RECQLKMT2AHSD17B10
SCHEMBL7230621 0.75 CASP6 (0.60) TIMP3MEN1KMT2ACYP1A2KDM4E

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-9486497-B2 Treatment of immunocompromised conditions THE UNIVERSITY OF QUEENSLAND (AU) 2016-11-08 US disclosed
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-07-07 US disclosed
US-9254322-B2 Compositions comprising E-selectin antagonists and uses therefor THE UNIVERSITY OF QUEENSLAND (AU) 2016-02-09 US disclosed
US-20110020270-A1 TREATMENT AND PROPHYLAXIS MATER MEDICAL RESEARCH INSTITUTE 2011-01-27 US disclosed
US-20110002881-A1 TREATMENT AND PROPHYLAXIS MATER MEDICAL RESEARCH INSTITUTE (AU) 2011-01-06 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-20110020270-A1 TREATMENT AND PROPHYLAXIS SELP, SELE, SELL TIMP3 1272/4885MEN1 1619/4885RECQL 1591/4885
US-20110002881-A1 TREATMENT AND PROPHYLAXIS SELP, SELE, SELPLG TIMP3 863/4885MEN1 1414/4885RECQL 1232/4885
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR SELL, SELP, SELE TIMP3 2441/4885MEN1 1930/4885RECQL 2551/4885

“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.