SCHEMBL20439648

SCHEMBL20439648

O=C(O)C1(c2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
AKR1C1 Q04828 1/20 0.51
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.43
SIGMAR1 Q99720 4/20 0.41
FAAH O00519 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD11B1 P28845 3/20 0.38
TET3 O43151 1/20 0.38
FBXL19 Q6PCT2 1/20 0.38
CXXC5 Q7LFL8 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
CXXC4 Q9H2H0 1/20 0.38
KDM2A Q9Y2K7 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
SCHEMBL20424845 0.94 KDM4E (0.59) KDM4EAKR1C1ALDH1A1LMNAKMT2A
SCHEMBL349449 0.81 AKR1C1 (0.52) KDM4EAKR1C1ALDH1A1LMNAKMT2A
SCHEMBL3099738 0.79 KDM4E (0.53) KDM4EAKR1C1ALDH1A1LMNAKMT2A
SCHEMBL3095655 0.79 MEN1 (0.51) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL23713517 0.78 ALDH1A1 (0.61) KDM4EALDH1A1KMT2AMEN1FAAH
Hydrochloric Acid SCHEMBL7002542 0.78 AKR1C1 (0.50) AKR1C1ALDH1A1LMNAKMT2AMEN1
SCHEMBL20430370 0.77 FAAH (0.58) KDM4EAKR1C1ALDH1A1FAAH
SCHEMBL5673170 0.75 SMN1; SMN2 (0.51) AKR1C1ALDH1A1LMNAKMT2AMEN1
SCHEMBL20424834 0.73 KDM4E (0.49) KDM4EALDH1A1FAAH
SCHEMBL327254 0.73 KDM4E (1.00) KDM4EALDH1A1LMNAKMT2AMEN1

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
EP-3573972-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2026-01-14 EP disclosed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
WO-2018138359-A1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2018-08-02 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-11077115-B2 Rorgamma modulators and uses thereof RORB, RORC, RORA KDM4E 2276/4885AKR1C1 1520/4885ALDH1A1 761/4885

“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.