SCHEMBL13555481

SCHEMBL13555481

CC(C)(C)Cc1ccccc1C(C)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.44
IDO1 P14902 2/20 0.38
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLQ O75417 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL278624 0.87 IDO1 (0.52) RIPK1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL20441215 0.82 RIPK1 (0.47) RIPK1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL12631962 0.80 GABRA1 (0.44) RIPK1IDO1NPSR1POLQALDH1A1
SCHEMBL6685097 0.78 RIPK1 (0.56) RIPK1IDO1SLC6A2SMN1; SMN2ESR1
SCHEMBL21497368 0.75 ALDH1A1 (0.43) IDO1GAAALDH1A1POLBTDP1
SCHEMBL22967815 0.74 ALDH1A1 (0.41) RIPK1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL20441250 0.74 RIPK1 (0.41) RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL17830317 0.74 AKR1B1 (0.40) RIPK1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL803448 0.73 TAAR1 (0.48) RIPK1IDO1NPSR1GAAALDH1A1
SCHEMBL9718549 0.72 RIPK1 (0.50) RIPK1SLC6A2SLC6A4SMN1; SMN2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-8546414-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-01 US disclosed
US-20120270318-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 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-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 RIPK1 214/4885IDO1 3700/4885SLC6A2 4742/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS RIPK1 354/4885IDO1 4746/4885SLC6A2 4853/4885

“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.