SCHEMBL22901418

SCHEMBL22901418

CC(=O)NC1CCCCCCC(C)(S)C(S)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.39
EPHX1 P07099 7/20 0.39
EPHX2 P34913 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
MMP2 P08253 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL885086 0.76 EPHX1 (0.64) MAPK1NPSR1MAPTEPHX1EPHX2
SCHEMBL13074022 0.76 EPHX1 (0.64) MAPK1NPSR1MAPTEPHX1EPHX2
SCHEMBL13366811 0.76 EPHX1 (0.64) MAPK1NPSR1MAPTEPHX1EPHX2
SCHEMBL16317723 0.76 EPHX1 (0.64) MAPK1NPSR1MAPTEPHX1EPHX2
SCHEMBL16317726 0.76 EPHX1 (0.64) MAPK1NPSR1MAPTEPHX1EPHX2
SCHEMBL331032 0.76
SCHEMBL2047092 0.76 EPHX1 (0.64) MAPK1NPSR1MAPTEPHX1EPHX2
SCHEMBL3038208 0.76 EPHX1 (0.64) MAPK1NPSR1MAPTEPHX1EPHX2
SCHEMBL15632426 0.76 EPHX1 (0.64) MAPK1NPSR1MAPTEPHX1EPHX2
SCHEMBL14525167 0.76 EPHX1 (0.64) MAPK1NPSR1MAPTEPHX1EPHX2

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-20210017274-A1 Drug-Conjugates With a Targeting Molecule and Two Different Drugs SORRENTO THERAPEUTICS, INC. (US) 2021-01-21 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-20210017274-A1 Drug-Conjugates With a Targeting Molecule and Two Different Drugs ERBB2, ABCG2, DYNLL2 HPGD 3999/4885MAPK1 4153/4885NPSR1 2404/4885

“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.