SCHEMBL22872302

SCHEMBL22872302

CC(C)(C)N[C@H](CCC(=O)O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.53
MME P08473 4/20 0.52
NAALAD2 Q9Y3Q0 2/20 0.49
KEAP1 Q14145 1/20 0.46
SLC15A1 P46059 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL2295761 0.84 CPA1 (0.50) CPA3MMEMEN1KMT2ACYP3A4
SCHEMBL1704898 0.84 CPA1 (0.50) CPA3MMEMEN1KMT2ACYP3A4
SCHEMBL11135975 0.82 CPA3 (0.57) CPA3MMENAALAD2KEAP1SLC15A1
SCHEMBL21302017 0.82 CPA3 (0.57) CPA3MMENAALAD2KEAP1SLC15A1
SCHEMBL22872313 0.79 CPA3 (0.54) CPA3MMENAALAD2KEAP1CYP3A4
SCHEMBL13957275 0.79 CPA3 (0.54) CPA3MMENAALAD2KEAP1CYP3A4
SCHEMBL21302010 0.79 CPA3 (0.54) CPA3MMENAALAD2KEAP1
SCHEMBL5411669 0.79 ATM (0.67) MMECYP3A4
SCHEMBL5744538 0.79 ATM (0.67) MMECYP3A4
SCHEMBL5411660 0.79 ATM (0.67) MMECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216420-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF SEAGEN INC (US) 2024-07-04 US disclosed
US-20240216420-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF SEAGEN INC (US) 2024-07-04 US disclosed
US-11857565-B2 Hydrophobic Auristatin F compounds and conjugates thereof SEAGEN INC. (US) 2024-01-02 US disclosed
US-11857565-B2 Hydrophobic Auristatin F compounds and conjugates thereof SEAGEN INC. (US) 2024-01-02 US disclosed
US-20210008099-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF SEATTLE GENETICS, INC. (US) 2021-01-14 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-20210008099-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF MSN, AURKA, AURKC CPA3 2340/4885MME 1023/4885NAALAD2 832/4885
US-11857565-B2 Hydrophobic Auristatin F compounds and conjugates thereof MSN, AURKA, AURKC CPA3 2340/4885MME 1023/4885NAALAD2 832/4885
US-20240216420-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF MSN, AURKA, AURKC CPA3 2340/4885MME 1023/4885NAALAD2 832/4885

“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.