SCHEMBL24333751

SCHEMBL24333751

CC(C)C(=O)NCCC1CC(F)(F)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
APLNR P35414 1/20 0.38
BCHE P06276 2/20 0.37
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
SPR P35270 1/20 0.32
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL19845899 0.81 APLNR (0.40) APLNRMTNR1AMTNR1BKMT2ACYP2C19
SCHEMBL22482080 0.81 APLNR (0.40) APLNRNQO2MTNR1AMTNR1BKMT2A
SCHEMBL11090 0.81 SIGMAR1 (0.49) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL11857771 0.80 SIGMAR1 (0.38) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL24276406 0.78 SIGMAR1 (0.57) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL22255154 0.76 SIGMAR1 (0.39) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL9891794 0.76 SIGMAR1 (0.60) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL23866596 0.75 SIGMAR1 (0.38) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL9891910 0.74 SIGMAR1 (0.43) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL12413657 0.74 SIGMAR1 (0.57) SIGMAR1BCHENQO2MTNR1AMTNR1B

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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 SIGMAR1 2751/4885APLNR 4717/4885BCHE 4613/4885

“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.