SCHEMBL2949243

SCHEMBL2949243

Cc1ccc2sc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)c(Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.40
S1PR3 Q99500 5/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PPARD Q03181 1/20 0.36
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
AR P10275 1/20 0.34
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL2945165 0.84 S1PR1 (0.42) S1PR1S1PR3PPARDMMP2MMP3
SCHEMBL28760332 0.77 S1PR1 (0.46) S1PR1S1PR3AKR1C3AKR1C2PDE3B
SCHEMBL2945808 0.77 S1PR1 (0.57) S1PR1S1PR3AKR1C3AKR1C2PDE3B
SCHEMBL2947672 0.76 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL4637120 0.76 AKR1C3 (0.51) S1PR1S1PR3AKR1C3AKR1C2PDE3B
SCHEMBL27638536 0.74 AKR1C3 (0.55) S1PR1S1PR3AKR1C3AKR1C2PDE3B
SCHEMBL2949294 0.74 S1PR1 (0.49) S1PR1S1PR3AKR1C3AKR1C2PDE3B
SCHEMBL27638539 0.73 AR (0.59) S1PR1S1PR3AKR1C3AKR1C2PDE3B
SCHEMBL2941597 0.72 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL27286423 0.71 KDM4E (0.39) KDM4EALDH1A1LMNAMAPT

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
US-7750021-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2010-07-06 US disclosed
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-05-21 US disclosed
US-7417065-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-08-26 US disclosed
EP-1628967-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-01 EP disclosed
US-20050014725-A1 Immunosuppressant compounds and compositions IRM LLC (BM) 2005-01-20 US disclosed
WO-2005000833-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2005-01-06 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 (2 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-20050014725-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885AKR1C3 714/4885
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885AKR1C3 714/4885

“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.