SCHEMBL1015209

SCHEMBL1015209

CC(=O)Nc1cccc(B(O)OC(C)(C)C(C)(C)O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
NQO2 P16083 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.42
NR4A1 P22736 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL9893568 0.86 HDAC3 (0.42)
SCHEMBL3524643 0.83 NLRP3 (0.32) TSHR
SCHEMBL1016475 0.83 SMN1; SMN2 (0.45) ALDH1A1HSD17B10CYP1A2L3MBTL1POLB
SCHEMBL9893797 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9893667 0.80 POLB (0.45) ALDH1A1POLBSMN1; SMN2
SCHEMBL9893670 0.77 CYP3A4 (0.50) ALDH1A1HSD17B10RAB9AMEN1KMT2A
SCHEMBL9893361 0.77 LOXL2 (0.42) ALDH1A1POLBRAB9AKMT2ASMN1; SMN2
SCHEMBL13571463 0.76 RXRA (0.40) HSD17B10CYP1A2POLBNR4A1RAB9A
SCHEMBL8930 0.76 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2NQO2L3MBTL1
SCHEMBL12475742 0.76 HDAC8 (0.45) ALDH1A1L3MBTL1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-8415479-B2 Inhibitor of plasminogen activator inhibitor-1 RENASCIENCE CO., LTD. (JP) 2013-04-09 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-20110112140-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 RENASCIENCE CO., LTD. (JP) 2011-05-12 US disclosed
EP-2272822-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Renascience CO., LTD. (JP) 2011-01-12 EP 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ALDH1A1 4010/4885HSD17B10 3109/4885CYP1A2 2891/4885
US-20110112140-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 SERPINE1, SERPINB1, SERPINC1 ALDH1A1 888/4885HSD17B10 1898/4885CYP1A2 1641/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ALDH1A1 4010/4885HSD17B10 3109/4885CYP1A2 2891/4885

“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.