SCHEMBL11891744

SCHEMBL11891744

O=COc1ccc(C(=O)c2ccc(CS(=O)(=O)c3cccnn3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HTT P42858 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
GFER P55789 1/20 0.34
SRD5A2 P31213 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
STS P08842 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
VNN1 O95497 2/20 0.31
CYP19A1 P11511 1/20 0.31
ACHE P22303 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
SCHEMBL3438590 0.67 ELANE (0.58) ALDH1A1MAPTLMNASRD5A2KMT2A
SCHEMBL10108612 0.65 ALDH1A1 (0.37) ALDH1A1MAPTLMNAHPGDKMT2A
Ethylene SCHEMBL27799966 0.65 ELANE (0.55) ALDH1A1SRD5A2KMT2AMEN1STS
SCHEMBL17718221 0.64 SRD5A2 (0.60) ALDH1A1TP53SRD5A2KMT2ATSHR
SCHEMBL21412311 0.62 HDAC4 (0.40) MAPTKMT2AL3MBTL1CYP19A1
SCHEMBL7882127 0.62 PSIP1 (0.40) ALDH1A1HTTMAPTLMNATP53
SCHEMBL1017613 0.61 HSD17B10 (0.58) ALDH1A1HTTMAPTLMNATP53
SCHEMBL14927362 0.60 SRD5A2 (0.62) ALDH1A1SRD5A2TSHRSMN1; SMN2RAB9A
SCHEMBL9772433 0.60 TSHR (0.67) ALDH1A1MAPTLMNAHPGDSRD5A2
SCHEMBL1015140 0.60 PKM (0.55) ALDH1A1HTTMAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9320734-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-04-26 US disclosed
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-05-07 US disclosed
US-8962663-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-02-24 US disclosed
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2013-07-18 US disclosed
US-8420678-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-04-16 US disclosed
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PHUSIS THERAPEUTICS INC. 2012-07-26 US disclosed
US-20110144066-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-06-16 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 (4 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-20110144066-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALDH1A1 4424/4885HTT 1878/4885MAPT 1329/4885
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALDH1A1 4424/4885HTT 1878/4885MAPT 1329/4885
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALDH1A1 4424/4885HTT 1878/4885MAPT 1329/4885
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEC, PLEKHA1 ALDH1A1 4500/4885HTT 1140/4885MAPT 559/4885

“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.