SCHEMBL4664565

SCHEMBL4664565

CCOC(=S)Sc1ccc(-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
SRD5A2 P31213 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AKR1C3 P42330 9/20 0.36
AKR1C2 P52895 9/20 0.36
S1PR1 P21453 4/20 0.36
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
S1PR3 Q99500 2/20 0.35
AKR1C4 P17516 3/20 0.34
AKR1C1 Q04828 3/20 0.34
AKR1B10 O60218 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL770110 0.76 DHODH (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4663041 0.73 S1PR1 (0.41) RORCALDH1A1KDM4EAKR1C3AKR1C2
SCHEMBL27724772 0.73 PDK2 (0.51) SRD5A2ALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL11855841 0.73 ALDH1A1 (0.41) ALDH1A1HPGDMAPK1L3MBTL1SMN1; SMN2
SCHEMBL28961906 0.71 ALDH1A1 (0.41) ALDH1A1HPGDMAPK1L3MBTL1SMN1; SMN2
SCHEMBL34475112 0.71 HTR7 (0.41) ALDH1A1KDM4ECYP1A2CYP2C9HPGD
SCHEMBL3440706 0.71 HTR7 (0.41) ALDH1A1KDM4ECYP1A2CYP2C9HPGD
SCHEMBL4663035 0.70 S1PR1 (0.41) RORCAKR1C3AKR1C2S1PR1S1PR3
SCHEMBL12598452 0.69 AR (0.53)
SCHEMBL4637120 0.68 AKR1C3 (0.51) RORCAKR1C3AKR1C2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638551-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2011-12-21 EP disclosed
EP-1638551-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP disclosed
US-7060697-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-13 US disclosed
EP-1638551-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-29 EP disclosed
US-20050014724-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-20 US disclosed
WO-2004103309-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 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-20050014724-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 RORC 87/4885SRD5A2 689/4885ALDH1A1 3602/4885

“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.