SCHEMBL21540542

SCHEMBL21540542

CCN(C(CC(C)C)C(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ MMP2 P08253 3/20 0.40
▸ MMP9 P14780 3/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PSIP1 O75475 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ LARS1 Q9P2J5 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MMP1 P03956 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
SCHEMBL21540442 0.87 CCR5 (0.45) TDP1MMP2MMP9CCR5HTT
SCHEMBL21540591 0.74 SMN1; SMN2 (0.49) TDP1CCR5HTTTSHRMAPK1
SCHEMBL5899478 0.74 PGR (0.59) TDP1MMP2MMP9HTTTSHR
SCHEMBL10693088 0.70 TDP1 (0.50) TDP1CCR5HTTTSHRMAPK1
SCHEMBL3653180 0.69 ESR2 (0.50) TDP1MMP2MMP9HTTTSHR
SCHEMBL3483564 0.69 HTT (0.48) TDP1CCR5HTTTSHRMAPK1
SCHEMBL5191924 0.69 TDP1 (0.67) TDP1CCR5HTTTSHRMAPK1
SCHEMBL5192024 0.68 HTT (0.67) MMP2MMP9HTTTSHRMAPK1
SCHEMBL2058156 0.68 LMNA (0.70) TDP1HTTTSHRMAPTPSIP1
SCHEMBL28134779 0.68 CCR5 (0.46) TDP1CCR5HTTMAPTPSIP1

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-20190328706-A1 COMPOSITIONS COMPRISING AN INTEGRIN INHIBITOR AND AGENTS WHICH INTERACT WITH A CHEMOKINE AND METHODS OF USE THEREOF SAINT LOUIS UNIVERSITY 2019-10-31 — — 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-20190328706-A1 COMPOSITIONS COMPRISING AN INTEGRIN INHIBITOR AND AGENTS WHICH INTERACT WITH A CHEMOKINE AND METHODS OF USE THEREOF CXCL12, CXCR4, SDF4 TDP1 4209/4885MMP2 1220/4885MMP9 1527/4885

“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.

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