SCHEMBL1928591

SCHEMBL1928591

CS(=O)(=O)Nc1nc(C(F)(F)F)c(C(=O)O)s1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 3/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
CRHR1 P34998 1/20 0.33
PPARA Q07869 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
PFKFB3 Q16875 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C9 P11712 1/20 0.32
NR1H4 Q96RI1 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
SCHEMBL9750642 0.78 MAPT (0.38) MAPTNPC1ALDH1A1HPGDTSHR
SCHEMBL1540449 0.78 ALDH1A1 (0.49) LMNANPC1ALDH1A1KDM4EGAA
SCHEMBL5546372 0.77 CCNA2 (0.45) MAPTNPC1ALDH1A1KDM4EGAA
SCHEMBL28144507 0.73 ALDH1A1 (0.49) MAPTLMNAALDH1A1KDM4EHPGD
SCHEMBL3748422 0.72 LCK (0.48)
SCHEMBL975710 0.72 MAPT (0.60) MAPTNPC1ALDH1A1KDM4EGAA
SCHEMBL1539932 0.71 P2RY1 (0.33) MAPTNPC1ALDH1A1POLBCRHR1
SCHEMBL14705599 0.71 KMT2A (0.49) HSD17B10LMNANPC1ALDH1A1KDM4E
SCHEMBL873879 0.70 GPR35 (0.43) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL1778181 0.70 ALDH1A1 (0.55) MAPTNPC1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956070-B2 Piperidines as chemokine modulators (CCR) ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-20070054924-A1 Novel piperidines as chemokine modulators (ccr) ASTRAZENECA AB (SE) 2007-03-08 US disclosed
EP-1713772-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005073192-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) ASTRAZENECA AB (SE) 2005-08-11 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 (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-20070054924-A1 Novel piperidines as chemokine modulators (ccr) CCR3, CCR1, CCR4 MAPT 4473/4885HSD17B10 3210/4885LMNA 4676/4885

“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.