SCHEMBL19947235

SCHEMBL19947235

NS(=O)(=O)CC[C@@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
APLNR P35414 2/20 0.34
FDPS P14324 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
MLNR O43193 1/20 0.32
ABCB11 O95342 1/20 0.32
EGFR P00533 1/20 0.32
FYN P06241 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL1968777 1.00 KMT2A (0.47) KMT2AAPLNRFDPSHRH3CYP2D6
SCHEMBL20762013 0.79 APLNR (0.36) KMT2AAPLNRFDPSCYP2D6MEN1
SCHEMBL25040341 0.79 APLNR (0.36) KMT2AAPLNRFDPSCYP2D6MEN1
Hydrochloric Acid SCHEMBL20744622 0.78 KMT2A (0.38) KMT2AAPLNRFDPSCYP2D6MEN1
SCHEMBL13961615 0.75 CYP2D6 (0.43) KMT2AFDPSHRH3CYP2D6MEN1
SCHEMBL353883 0.74 KMT2A (0.54) KMT2AFDPSHRH3CYP2D6MEN1
SCHEMBL20744329 0.73 FDPS (0.42) KMT2AFDPSHRH3CYP2D6MEN1
SCHEMBL16333481 0.73 KMT2A (0.53) KMT2AFDPSHRH3CYP2D6MEN1
Hydrochloric Acid SCHEMBL20744671 0.72 KMT2A (0.44) KMT2AFDPSHRH3CYP2D6MEN1
SCHEMBL16538805 0.72 KMT2A (0.41) KMT2AFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 US disclosed
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 US disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 WO disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 WO 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 (2 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-10246462-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 KMT2A 4753/4885APLNR 176/4885FDPS 2714/4885
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 KMT2A 4753/4885APLNR 176/4885FDPS 2714/4885

“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.