SCHEMBL5030646

SCHEMBL5030646

Cc1ccc(S(=O)(=O)C[C@@H]2CC3(CC[C@@H]2N2CC[C@H](NC(=O)OCc4ccccc4)C2=O)OCCO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.42
KCNH2 Q12809 4/20 0.41
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
ESR2 Q92731 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CASP3 P42574 1/20 0.38
MAPT P10636 1/20 0.38
CTSK P43235 1/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NAAA Q02083 1/20 0.37

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
SCHEMBL13600773 0.85 CASP3 (0.42) MEN1KMT2AGPR55CASP3CTSK
SCHEMBL12156505 0.85 CASP3 (0.42) MEN1KMT2AGPR55CASP3CTSK
SCHEMBL4422761 0.83 CCR2 (0.46) CCR2KCNH2MEN1KMT2AGPR55
SCHEMBL2786342 0.81 CASP3 (0.44) ALDH1A1CASP3CTSK
SCHEMBL12156504 0.81 CASP3 (0.44) ALDH1A1CASP3CTSK
SCHEMBL1841848 0.81 CASP3 (0.44) ALDH1A1CASP3CTSK
SCHEMBL13411399 0.81 CASP3 (0.41) MEN1KMT2AGPR55CASP3CTSK
SCHEMBL1842398 0.81 CASP3 (0.41) MEN1KMT2AGPR55CASP3CTSK
SCHEMBL4412545 0.80 ALDH1A1 (0.41) ALDH1A1POLBESR2L3MBTL1CTSK
SCHEMBL4412540 0.80 ALDH1A1 (0.41) ALDH1A1POLBESR2L3MBTL1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CCR2 5/4885KCNH2 2551/4885ALDH1A1 1195/4885

“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.