SCHEMBL31277249

SCHEMBL31277249

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)c1cccs1)C(=O)N(Cc1cccs1)Cc1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.52
CTSS P25774 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
FOLH1 Q04609 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GLA P06280 1/20 0.40
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
TSHR P16473 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40

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
SCHEMBL16762094 0.90 CTSK (0.54) CTSKCTSSJAK3BTKTSHR
SCHEMBL20211104 0.90 CTSK (0.54) CTSKCTSSJAK3BTKTSHR
SCHEMBL31277610 0.90 CTSK (0.54) CTSKCTSSJAK3BTKKLK7
SCHEMBL6122352 0.90 CTSK (0.54) CTSKCTSSJAK3BTKTSHR
SCHEMBL23357781 0.88 CTSK (0.52) CTSKCTSSGAAJAK3BTK
SCHEMBL8828162 0.88 CTSK (0.52) CTSKCTSSGAAJAK3BTK
SCHEMBL21543692 0.87 CTSK (0.52) CTSKCTSSJAK3BTKKLK7
SCHEMBL16762218 0.87 CTSK (0.55) CTSKCTSSSMN1; SMN2GAAJAK3
SCHEMBL31277247 0.86 CTSK (0.55) CTSKCTSSJAK3BTKCTSL
SCHEMBL16762058 0.86 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AGAAKDM4E

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-12201686-B2 Compositions including a therapeutic antibodies and/or a checkpoint inhibitor and an integrin activating compound 7 HILLS PHARMA INC. (US) 2025-01-21 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-12201686-B2 Compositions including a therapeutic antibodies and/or a checkpoint inhibitor and an integrin activating compound CD47, CD274, ITGB1 CTSK 2225/4885CTSS 3235/4885SMN1; SMN2 3989/4885

“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.