SCHEMBL12877013

SCHEMBL12877013

CC(C)COc1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.54
PTGS2 P35354 6/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
TLR8 Q9NR97 1/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL10623391 0.87 PTGS1 (0.51) PTGS1PTGS2MEN1KMT2ALOXL2
SCHEMBL2170896 0.84 PTGS1 (0.57) PTGS1PTGS2MEN1KMT2ALOXL2
SCHEMBL6842459 0.81 PTGS1 (0.58) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL10158221 0.78 PTGS1 (0.61) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL12371897 0.78 TSHR (0.46) PTGS1PTGS2MEN1KMT2ALOXL2
SCHEMBL30423748 0.78 TSHR (0.46) PTGS1PTGS2MEN1KMT2ALOXL2
SCHEMBL7352333 0.77 PTGS1 (0.62) PTGS1PTGS2MEN1KMT2APPARG
SCHEMBL11218369 0.77 ALOX15 (0.47) PTGS1PTGS2MEN1KMT2ALOXL2
SCHEMBL1632866 0.77 PTGS1 (0.58) PTGS1PTGS2MEN1KMT2ALOXL2
SCHEMBL9167195 0.77 PTGS1 (0.64) PTGS1PTGS2MEN1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210228550-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2021-07-29 US disclosed
US-10945996-B2 Inhibiting germination of clostridium perfringens spores to reduce necrotic enteritis THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-03-16 US disclosed
US-20190209531-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2019-07-11 US disclosed
US-20180000793-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis ABEL-SANTOS ERNESTO (US) 2018-01-04 US disclosed
WO-2016127102-A2 INHIBITING GERMINATION OF CLOSTRIDIUM PERFRINGENS SPORES TO REDUCE NECROTIC ENTERITIS ABEL-SANTOS ERNESTO (US) 2016-08-11 WO disclosed
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-07-25 US disclosed
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-07-25 US disclosed
US-8377960-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-02-19 US disclosed
US-8377960-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-02-19 US disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 US disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 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 (6 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-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 PTGS1 3121/4885PTGS2 4154/4885MEN1 4098/4885
US-10945996-B2 Inhibiting germination of clostridium perfringens spores to reduce necrotic enteritis CASP3, SI, PYCARD PTGS1 521/4885PTGS2 638/4885MEN1 3045/4885
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 PTGS1 3121/4885PTGS2 4154/4885MEN1 4098/4885
US-20190209531-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD PTGS1 521/4885PTGS2 638/4885MEN1 3045/4885
US-20210228550-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD PTGS1 521/4885PTGS2 638/4885MEN1 3045/4885
US-20180000793-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD PTGS1 521/4885PTGS2 638/4885MEN1 3045/4885

“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.