SCHEMBL24506989

SCHEMBL24506989

BC(B)(CCl)N(c1ccc(CC(N)C(=O)NC(Cc2ccc(F)cc2)C(=O)OCC)cc1)C(B)(B)CCl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 6/20 0.37
▸ NOS3 P29474 3/20 0.37
▸ NOS1 P29475 3/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ MC3R P41968 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ MME P08473 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ CPA1 P15085 1/20 0.35
▸ ACE2 Q9BYF1 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ERAP2 Q6P179 2/20 0.34
▸ LNPEP Q9UIQ6 2/20 0.34
▸ ERAP1 Q9NZ08 1/20 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
SCHEMBL25021253 0.89 LMNA (0.38) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL24101006 0.89 MC4R (0.38) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL24101173 0.89 MC4R (0.38) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL25021945 0.88 NOS2 (0.35) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL25021254 0.85 NOS2 (0.35) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL25021306 0.85 MC4R (0.35) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL25021304 0.85 NOS2 (0.37) NOS2NOS3NOS1OPRK1EPHX2
SCHEMBL25022672 0.84 NOS2 (0.36) NOS2NOS3NOS1OPRK1EPHX2
Melphalan Flufenamide SCHEMBL24101233 0.83 LMNA (0.53) NOS2NOS3NOS1OPRK1EPHX2
Melphalan Flufenamide SCHEMBL20208719 0.83 LMNA (0.53) NOS2NOS3NOS1OPRK1EPHX2

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-20220184021-A1 NOVEL FORMULATIONS COMPRISING MELFLUFEN ONCOPEPTIDES AB (SE) 2022-06-16 — — 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-20220184021-A1 NOVEL FORMULATIONS COMPRISING MELFLUFEN F12, FGF2, MC3R NOS2 2551/4885NOS3 2425/4885NOS1 3616/4885

“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.

Send feedback