SCHEMBL25857610

SCHEMBL25857610

CC(C)N1CCc2cc(C(N)=S)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.43
NOTUM Q6P988 1/20 0.42
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 3/20 0.36
RECQL P46063 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL20173808 0.80 RARA (0.47) NOTUMALDH1A1MAPTKDM4ERAB9A
SCHEMBL21792306 0.77 SRD5A1 (0.52) NOTUMHTTALDH1A1MAPTKDM4E
SCHEMBL23054219 0.77 MEN1 (0.45) NOTUMHTTALDH1A1MAPTKDM4E
SCHEMBL24077067 0.76 NOTUM (0.47) NOTUMHTTALDH1A1MAPTKDM4E
SCHEMBL25873261 0.75 TP53 (0.46) NOTUMHTTMAPTRAB9AHDAC1
SCHEMBL13180881 0.74 NOTUM (0.51) NOTUMHTTALDH1A1KDM4EMEN1
SCHEMBL20173807 0.73 SRD5A1 (0.56) ALDH1A1MAPTKDM4ERAB9AHPGD
SCHEMBL20173810 0.73 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ERAB9AHPGD
SCHEMBL17321540 0.72 HSP90AA1 (0.54) HTTALDH1A1MAPTKDM4EHPGD
SCHEMBL14474334 0.72 NOTUM (0.47) NOTUMHDAC1HDAC6GFERMEN1

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 PRKCI 2477/4885NOTUM 2404/4885HTT 3156/4885

“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.