SCHEMBL11987809

SCHEMBL11987809

CCc1cc2c(s1)CCCC2O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
UGT2B17 O75795 2/20 0.40
RXRA P19793 1/20 0.36
MAPK1 P28482 2/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD2 P14416 4/20 0.33
DRD1 P21728 4/20 0.33
HTR1A P08908 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL11987806 0.95 KCNH2 (0.40) KCNH2UGT2B17RXRAMAPK1NPC1
SCHEMBL13303498 0.77 UGT2B17 (0.47) UGT2B17TSHRRAB9A
SCHEMBL12044707 0.77 KCNH2 (0.41) KCNH2MAPK1NPC1HPGDTSHR
SCHEMBL19981490 0.74 UGT2B17 (0.40) UGT2B17
SCHEMBL11987733 0.73 UGT2B17 (0.40) UGT2B17ALDH1A1SMN1; SMN2
SCHEMBL13303619 0.73 UGT2B17 (0.40) UGT2B17MAPK1
SCHEMBL11987801 0.73 HPGD (0.35) KCNH2UGT2B17MAPK1NPC1HPGD
SCHEMBL18723592 0.73 KCNH2 (0.39) KCNH2MAPK1NPC1HPGDTSHR
SCHEMBL18723911 0.73 KCNH2 (0.39) KCNH2MAPK1NPC1HPGDTSHR
SCHEMBL17970208 0.72 UGT2B17 (0.42) UGT2B17NPC1HPGDTSHRRAB9A

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-8247550-B2 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. (US) 2012-08-21 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof GILEAD CONNECTICUT, INC. 2011-03-10 US disclosed
US-7884108-B2 tyrosine kinase inhibitors such as N-(3-(6-(4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenyl amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-fluorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide for treating bone disorders, allergic disorders, autoimmune diseases, inflammatory diseases CGI PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2009-03-26 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK KCNH2 2252/4885UGT2B17 401/4885RXRA 3862/4885
US-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 KCNH2 4130/4885UGT2B17 708/4885RXRA 4381/4885
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, MYD88 KCNH2 4130/4885UGT2B17 708/4885RXRA 4381/4885

“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.