SCHEMBL24944395

SCHEMBL24944395

CC(=O)n1c(C(C)(C)CS)cc2ccc(C(C)(C)C)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ CCR9 P51686 6/20 0.35
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ TDP1 Q9NUW8 3/20 0.31
▸ PLG P00747 1/20 0.31
▸ KLK1 P06870 1/20 0.31
▸ KLK6 Q92876 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL21341733 0.86 HSP90AA1 (0.38) HSP90AA1HSP90AB1CCR9HDAC10HDAC6
SCHEMBL24943789 0.75 DHFR (0.37) ALDH1A1HTTSMN1; SMN2KCNH2
SCHEMBL24943810 0.73 CCR9 (0.37) HSP90AA1HSP90AB1CCR9TDP1KDM4E
SCHEMBL24944392 0.73 CCR9 (0.36) CCR9KCNH2
SCHEMBL24944390 0.70 — —
SCHEMBL21341331 0.68 KDM4E (0.34) HSP90AA1HSP90AB1CCR9TDP1KDM4E
SCHEMBL8957563 0.66 NOTUM (0.54) HSP90AA1HSP90AB1CCR9TDP1KDM4E
SCHEMBL24630688 0.66 CCR9 (0.38) CCR9HDAC10HDAC6NR1I2TDP1
SCHEMBL24943616 0.66 CCR9 (0.33) CCR9KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL20618778 0.65 KCNH2 (0.41) CCR9HDAC10HDAC6NR1I2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 — — 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 (1 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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA HSP90AA1 1013/4885HSP90AB1 855/4885CCR9 3518/4885

“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.

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