SCHEMBL21740872

SCHEMBL21740872

CC(C)CCCSc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 3/20 0.36
NPC1 O15118 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PTGS2 P35354 1/20 0.34
BACE1 P56817 2/20 0.34
GPR84 Q9NQS5 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL19002781 0.79 PTGS2 (0.51) DHFRRAB9ASMN1; SMN2GAANPC1
SCHEMBL30753726 0.78 LMNA (0.45) DHFRRAB9ASMN1; SMN2GAANPC1
SCHEMBL30417867 0.78 PTGS2 (0.51) DHFRALDH1A1PTGS2
SCHEMBL24772058 0.77 BACE1 (0.39) DHFRSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL29296736 0.77 BACE1 (0.43) DHFRSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL2655184 0.77 DHFR (0.41) DHFRRAB9ASMN1; SMN2GAANPC1
SCHEMBL7093315 0.76 PTGS2 (0.43) DHFRRAB9ASMN1; SMN2GAANPC1
SCHEMBL10905449 0.76 RAB9A (0.41) DHFRRAB9ASMN1; SMN2GAANPC1
SCHEMBL18997259 0.75 DHFR (0.40) DHFRRAB9ASMN1; SMN2GAANPC1
SCHEMBL10144132 0.75 PTGS2 (0.47) DHFRRAB9ASMN1; SMN2GAANPC1

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-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 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-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS DHFR 3076/4885SLC6A2 4853/4885SLC6A4 4876/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS DHFR 3076/4885SLC6A2 4853/4885SLC6A4 4876/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS DHFR 3076/4885SLC6A2 4853/4885SLC6A4 4876/4885

“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.