SCHEMBL21540591

SCHEMBL21540591

CCCC(C)N(CC)S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PSEN1 P49768 1/20 0.48
▸ PSEN2 P49810 1/20 0.48
▸ APH1B Q8WW43 1/20 0.48
▸ NCSTN Q92542 1/20 0.48
▸ APH1A Q96BI3 1/20 0.48
▸ PSENEN Q9NZ42 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ CCR5 P51681 1/20 0.42
▸ PSIP1 O75475 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL25520498 0.81 SMN1; SMN2 (0.50) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL21540442 0.77 CCR5 (0.45) TDP1CCR5PSIP1HTTTSHR
SCHEMBL4456846 0.76 HTR7 (0.58) CCR5
SCHEMBL5191924 0.75 TDP1 (0.67) SMN1; SMN2TDP1CCR5PSIP1HTT
SCHEMBL21540542 0.74 TDP1 (0.41) TDP1CCR5PSIP1HTTTSHR
SCHEMBL5512141 0.74 TDP1 (0.61) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL12830369 0.74 TDP1 (0.49) TDP1MAPK1ESR2ESR1NR1I2
SCHEMBL2335609 0.73 ADAMTS5 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5899478 0.73 PGR (0.59) SMN1; SMN2TDP1HTTTSHRMAPK1
SCHEMBL27700771 0.72 TDP1 (0.58) TDP1CCR5HTTTSHRMAPK1

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 SMN1; SMN2 3244/4885PSEN1 4440/4885PSEN2 4458/4885

“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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