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SCHEMBL5029418

SCHEMBL5029418

CC(C)N(C)C1CCC(CS(=O)(=O)c2ccccc2)(N2CC[C@H](Nc3ncnc4sc(-c5ccccc5)cc34)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ EGFR P00533 2/20 0.42
▸ RAD52 P43351 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PIP4K2A P48426 1/20 0.40
▸ PIP4K2C Q8TBX8 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ CCR2 P41597 8/20 0.38
▸ CCR5 P51681 7/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL4422907 0.89 PIK3CD (0.44) PIK3CDPIK3CAEGFRRAD52POLB
SCHEMBL5027325 0.84 CCR2 (0.47) CCR2CCR5
SCHEMBL5032000 0.83 CCR2 (0.38) CCR2CCR5
SCHEMBL5030716 0.83 NSD2 (0.46) EGFRKDM4ECCR2CCR5HPGD
SCHEMBL5032022 0.83 CCR2 (0.48) KDM4EALDH1A1CCR2CCR5SMN1; SMN2
SCHEMBL5030504 0.83 CCR2 (0.48) CCR2CCR5
SCHEMBL5027376 0.82 CCR2 (0.43) ALDH1A1CCR2CCR5
SCHEMBL5029731 0.82 CCR2 (0.59) CCR2CCR5
SCHEMBL5027201 0.82 CCR2 (0.39) MEN1KMT2ACCR2CCR5
SCHEMBL4422903 0.80 CCR2 (0.58) CCR2CCR5

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 7 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 claimed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 — — US claimed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 — — US claimed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 — — US claimed
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
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 — — 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 (3 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 PIK3CD 3085/4885PIK3CA 3565/4885EGFR 1749/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 PIK3CD 3025/4885PIK3CA 3572/4885EGFR 1758/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 PIK3CD 3085/4885PIK3CA 3565/4885EGFR 1749/4885

“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.