SCHEMBL3089609

SCHEMBL3089609

N=C(NO)c1ccc(-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.43
S1PR3 Q99500 4/20 0.43
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FFAR2 O15552 1/20 0.40
ADH5 P11766 1/20 0.39
PLK1 P53350 1/20 0.39
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL2812061 0.80 HDAC6 (0.43) MMP2MMP3HDAC1HDAC6AKR1C3
SCHEMBL27702486 0.78 AKR1C3 (0.50) S1PR1S1PR3FFAR2ADH5AKR1C3
SCHEMBL402398 0.78 ADH5 (0.58) S1PR1FFAR2ADH5AKR1C3AKR1C2
SCHEMBL25383658 0.77 MAPT (0.49) HDAC1HDAC8HDAC6
SCHEMBL1739428 0.76 P4HB (0.42) HDAC1HDAC8HDAC6
SCHEMBL29788387 0.76 HDAC8 (0.46) HDAC1HDAC8HDAC6
SCHEMBL1964418 0.76 HDAC8 (0.46) HDAC1HDAC8HDAC6
SCHEMBL17133900 0.75 AKR1C3 (0.60) S1PR1S1PR3FFAR2ADH5AKR1C3
SCHEMBL403135 0.75 AKR1C3 (0.55) S1PR1FFAR2ADH5AKR1C3AKR1C2
SCHEMBL3903631 0.75 EGFR (0.57) S1PR1AKR1C3AKR1C2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644367-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2015-10-14 EP disclosed
CN-102174042-B Immunosuppressant compounds and compositions IRM LLC 2013-09-18 CN disclosed
CN-102174042-A Immunosuppressant compounds and compositions IRM LLC 2011-09-07 CN disclosed
CN-1816544-B Immunosuppressant compounds and compositions IRM LLC 2011-06-08 CN disclosed
EP-2233473-A1 3,5-di(aryl or heteroaryl)isoxazoles and 1,2,4-oxadiazoles as S1P1 receptor agonists, immunosuppresssive and anti-inflammatory agents Novartis AG (CH) 2010-09-29 EP disclosed
EP-2233473-A1 3,5-di(aryl or heteroaryl)isoxazoles and 1,2,4-oxadiazoles as S1P1 receptor agonists, immunosuppresssive and anti-inflammatory agents Novartis AG (CH) 2010-09-29 EP disclosed
US-7799812-B2 Reverse isoxazoles NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7799812-B2 Reverse isoxazoles NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7799812-B2 Reverse isoxazoles NOVARTIS AG (CH) 2010-09-21 US disclosed
EP-1981858-B1 3,5-DI(ARYL OR HETEROARYL)ISOXAZOLES AND 1,2,4-OXADIAZOLES AS S1P1 RECEPTOR AGONISTS, IMMUNOSUPPRESSSIVE AND ANTI-INFLAMMATORY AGENTS NOVARTIS AG (CH) 2010-06-16 EP disclosed
CN-101374821-A 3,5-di(aryl or heteroaryl)isoxazoles and 1,2,4-oxadiazoles as S1P1 receptor agonists, immunosuppresssive and anti-inflammatory agents NOVARTIS AG (CH) 2009-02-25 CN disclosed
EP-1644367-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP disclosed
US-7462629-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-12-09 US disclosed
EP-1981858-A2 3,5-DI(ARYL OR HETEROARYL)ISOXAZOLES AND 1,2,4-OXADIAZOLES AS S1P1 RECEPTOR AGONISTS, IMMUNOSUPPRESSSIVE AND ANTI-INFLAMMATORY AGENTS Novartis AG (CH) 2008-10-22 EP disclosed
WO-2007085451-A2 3,5-DI (ARYL OR HETEROARYL) ISOXAZOLES AND 1, 2, 4-OXADIAZOLES AS S1P1 RECEPTOR AGONISTS, IMMUNOSUPPRESSSIVE AND ANTI -INFLAMMATORY AGENTS NOVARTIS AG (CH) 2007-08-02 WO disclosed
WO-2007085451-A2 3,5-DI (ARYL OR HETEROARYL) ISOXAZOLES AND 1, 2, 4-OXADIAZOLES AS S1P1 RECEPTOR AGONISTS, IMMUNOSUPPRESSSIVE AND ANTI -INFLAMMATORY AGENTS NOVARTIS AG (CH) 2007-08-02 WO disclosed
CN-1816544-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-08-09 CN disclosed
EP-1644367-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-04-12 EP disclosed
US-20050009786-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-13 US disclosed
WO-2004113330-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-29 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-20050009786-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885MMP2 4854/4885

“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.