SCHEMBL560722

SCHEMBL560722

CC(C)C[C@@H](NCc1ccc(I)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.57
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
CTSK P43235 1/20 0.51
FOLH1 Q04609 3/20 0.47
PSMB5 P28074 1/20 0.44
ATM Q13315 1/20 0.43
ACE P12821 1/20 0.43
SORT1 Q99523 2/20 0.43
GRN P28799 1/20 0.43
MME P08473 1/20 0.43
ANPEP P15144 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL560721 1.00 FPR2 (0.57) FPR2ALDH1A1LMNACTSKFOLH1
SCHEMBL3451593 0.85 PSMB5 (0.57) ALDH1A1LMNACTSKPSMB5ACE
SCHEMBL17833228 0.85 PSMB5 (0.57) ALDH1A1LMNACTSKPSMB5ACE
SCHEMBL3451636 0.85 PSMB5 (0.57) ALDH1A1LMNACTSKPSMB5ACE
SCHEMBL8255500 0.84 ALDH1A1 (0.51) ALDH1A1LMNACTSKFOLH1PSMB5
SCHEMBL27723661 0.84 ITGB1 (0.55) ALDH1A1LMNACTSKFOLH1PSMB5
SCHEMBL5172068 0.84 MME (0.56) ALDH1A1LMNACTSKPSMB5ACE
SCHEMBL27723663 0.84 ITGB1 (0.55) ALDH1A1LMNACTSKFOLH1PSMB5
SCHEMBL4703394 0.84 CTSK (0.69) FPR2ALDH1A1LMNACTSKFOLH1
SCHEMBL5869760 0.84 ALDH1A1 (0.51) ALDH1A1LMNACTSKFOLH1PSMB5

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-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LD. (GB) 2012-02-09 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-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE IKBKE, IKBKB, NFKBIA FPR2 3850/4885ALDH1A1 2776/4885LMNA 2673/4885

“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.