SCHEMBL21776299

SCHEMBL21776299

CCCC(C)Cc1csc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.40
GAA P10253 1/20 0.39
OPRK1 P41145 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NOS2 P35228 1/20 0.34
FABP6 P51161 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL13003566 0.85 SLC6A3 (0.41) SLC6A3GAAOPRK1KMT2AMEN1
SCHEMBL18938015 0.81 SLC6A3 (0.41) SLC6A3NOS2ALDH1A1
SCHEMBL8250998 0.79 SLC6A3 (0.45) SLC6A3GAAOPRK1KMT2AMEN1
SCHEMBL10127536 0.78 NPC1 (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL19557942 0.77 KMT2A (0.34) SLC6A3GAAOPRK1KMT2AMEN1
SCHEMBL22431621 0.76 MAPT (0.38) SLC6A3GAAOPRK1KMT2AMEN1
SCHEMBL7452089 0.73 SMN1; SMN2 (0.43) SLC6A3GAASMN1; SMN2NPC1RAB9A
SCHEMBL1107413 0.72
Hydrochloric Acid SCHEMBL1770809 0.72 BDKRB2 (0.42) SLC6A3GAAKMT2AMEN1SMN1; SMN2
SCHEMBL19334134 0.72 SMN1; SMN2 (0.48) GAAKMT2AMEN1SMN1; SMN2NPC1

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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 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 (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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS SLC6A3 4779/4885GAA 2581/4885OPRK1 4021/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS SLC6A3 4779/4885GAA 2581/4885OPRK1 4021/4885

“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.