SCHEMBL1704898

SCHEMBL1704898

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.50
CPB1 P15086 1/20 0.50
CPA3 P15088 1/20 0.50
CPB2 Q96IY4 1/20 0.50
LTA4H P09960 2/20 0.47
MME P08473 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45

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 1.00 CPA1 (0.50) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL16501759 0.87 MEN1 (0.43) CPA1MMEMEN1KMT2ACYP3A4
SCHEMBL22872302 0.84 CPA3 (0.53) CPA3MMEMEN1KMT2ACYP3A4
SCHEMBL7506620 0.81 CPA1 (0.55) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL7745276 0.81 MAPK1 (0.53) MEN1KMT2ACYP3A4MAPK1MAPT
SCHEMBL10245188 0.81 MAPK1 (0.53) MEN1KMT2ACYP3A4MAPK1MAPT
SCHEMBL4302711 0.81 CPA1 (0.55) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL8254401 0.81 MAPK1 (0.53) MEN1KMT2ACYP3A4MAPK1MAPT
SCHEMBL20272616 0.81 CPA1 (0.55) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL22457979 0.80 MME (0.56) MMECYP3A4MAPK1

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 6 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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP 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 CPA1 3227/4885CPB1 2509/4885CPA3 2340/4885
US-11857565-B2 Hydrophobic Auristatin F compounds and conjugates thereof MSN, AURKA, AURKC CPA1 3227/4885CPB1 2509/4885CPA3 2340/4885
US-20240216420-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF MSN, AURKA, AURKC CPA1 3227/4885CPB1 2509/4885CPA3 2340/4885

“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.