SCHEMBL23201206

SCHEMBL23201206

COc1cc(C#N)ccc1CN(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.39
PLA2G4A P47712 1/20 0.37
LTB4R Q15722 1/20 0.37
CETP P11597 1/20 0.36
NR3C1 P04150 2/20 0.35
PGR P06401 2/20 0.35
NR3C2 P08235 2/20 0.35
KDM4D Q6B0I6 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
AR P10275 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
PTGES2 Q9H7Z7 2/20 0.34

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
SCHEMBL26144386 0.94 CETP (0.38) ABCB1PLA2G4ALTB4RCETPNR3C1
SCHEMBL20446482 0.85 ABCB1 (0.39) ABCB1
SCHEMBL6650774 0.84 ABCB1 (0.35) ABCB1
SCHEMBL27001732 0.81 ABCB1 (0.42) ABCB1PLA2G4ALTB4RNR3C1PGR
SCHEMBL6424007 0.80 NSD2 (0.43) ABCB1POLB
SCHEMBL410797 0.79 ABCB1 (0.41) ABCB1KDM4EALDH1A1POLB
SCHEMBL5846315 0.78 FFAR1 (0.41) ABCB1NR3C1PGRNR3C2
SCHEMBL28847028 0.78 ABCB1 (0.38) ABCB1
SCHEMBL16110360 0.78 MTNR1A (0.51) ABCB1PLA2G4ALTB4RNR3C1PGR
SCHEMBL6650772 0.78 GPR35 (0.33) ABCB1CETPUSP2MAPTAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 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 (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-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ABCB1 3521/4885PLA2G4A 818/4885LTB4R 4225/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ABCB1 3521/4885PLA2G4A 818/4885LTB4R 4225/4885

“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.