SCHEMBL19987807

SCHEMBL19987807

CC(C)c1cc(CS(=O)(=O)O)no1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 14/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
TP53 P04637 2/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
SCD5 Q86SK9 1/20 0.35

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
SCHEMBL27752797 0.78 MAPT (0.41) SMN1; SMN2NPC1RAB9AEPHX2S1PR3
SCHEMBL18256030 0.72 HSP90AA1 (0.42) SMN1; SMN2NPC1RAB9AMAPK1TSHR
SCHEMBL15009179 0.71 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ATP53NFKB1
SCHEMBL24540338 0.67 THRB (0.43) SMN1; SMN2NPC1RAB9ATP53MAPK1
SCHEMBL18502132 0.66 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ATSHREPHX2
SCHEMBL19987815 0.63 FABP3 (0.30)
SCHEMBL23651964 0.63 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ATP53NFKB1
SCHEMBL23966768 0.62 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ATSHREPHX2
SCHEMBL22837863 0.61 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9ATSHREPHX2
SCHEMBL85820 0.61 GRM5 (0.44) SMN1; SMN2NPC1RAB9ATP53NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 US disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 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 (2 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-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A SMN1; SMN2 1786/4885NPC1 4399/4885RAB9A 3022/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A SMN1; SMN2 1786/4885NPC1 4399/4885RAB9A 3022/4885

“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.