SCHEMBL21900799

SCHEMBL21900799

COc1ccc(COC[C@H]2OC(c3csc4c(=O)[nH]c(-c5ccccn5)nc34)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KRAS P01116 14/20 0.46
TYMP P19971 1/20 0.37
SLC5A2 P31639 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
RUNX1 Q01196 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
AGTR1 P30556 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL20665700 1.00 KRAS (0.46) KRASTYMPSLC5A2NPC1RAB9A
SCHEMBL20665220 0.84 NPC1 (0.39) SLC5A2NPC1RAB9ARUNX1SMN1; SMN2
SCHEMBL20665656 0.82 KRAS (0.49) KRASSLC5A2NPC1RAB9ALMNA
SCHEMBL21740949 0.82 KRAS (0.49) KRASSLC5A2NPC1RAB9ALMNA
SCHEMBL21776411 0.78 KRAS (0.51) KRASNPC1RAB9ALMNASMN1; SMN2
SCHEMBL21741000 0.76 SLC5A2 (0.35) TYMPSLC5A2NPC1RAB9ASMN1; SMN2
SCHEMBL20665210 0.63 PYGL (0.43) SLC5A2KDM4ETDP1
SCHEMBL21740822 0.63 GJB2 (0.45) SLC5A2NPC1RAB9A
SCHEMBL3309845 0.62 PNP (0.53) MAPT
SCHEMBL30327369 0.62 RAB9A (0.54) KRASRAB9ALMNAALDH1A1MAPT

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-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-09 US disclosed
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-04-23 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-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KRAS 2/4885TYMP 4207/4885SLC5A2 4699/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KRAS 2/4885TYMP 4207/4885SLC5A2 4699/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KRAS 2/4885TYMP 4207/4885SLC5A2 4699/4885

“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.