SCHEMBL3343641

SCHEMBL3343641

Cc1c(NS(C)(=O)=O)ccc(C(=O)O)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.45
CCR2 P41597 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
KMT2A Q03164 2/20 0.43
ACLY P53396 2/20 0.43
METAP2 P50579 2/20 0.43
MCL1 Q07820 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NEU3 Q9UQ49 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 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
SCHEMBL4032987 0.81 LMNA (0.45) KMT2AACLYMETAP2SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL9649707 0.80 LMNA (0.44) KMT2AACLYMETAP2SMN1; SMN2HSD17B10
SCHEMBL3529403 0.79 KMT2A (0.55) CCR2KEAP1NFE2L2KMT2AMCL1
SCHEMBL3237040 0.79 KMT2A (0.44) NR3C1CCR2KEAP1NFE2L2KMT2A
SCHEMBL13715485 0.77 KDM4E (0.58) KMT2AKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL5226243 0.77 KEAP1 (0.61) NR3C1CCR2KEAP1NFE2L2KMT2A
SCHEMBL30100431 0.75 ACLY (0.66) CCR2KMT2AACLYMETAP2KDM4E
SCHEMBL219920 0.75 ACLY (0.66) CCR2KMT2AACLYMETAP2KDM4E
SCHEMBL7556603 0.75 CCR2 (0.63) CCR2KMT2AACLYKDM4ESMN1; SMN2
SCHEMBL222213 0.73 METAP2 (0.68) KMT2AACLYMETAP2MCL1KDM4E

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-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 NR3C1 500/4885CCR2 289/4885KEAP1 2985/4885

“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.