SCHEMBL1706092

SCHEMBL1706092

CCc1c(OC(=O)c2ccc(C)cc2)nc(C)nc1C(C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.38
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
LGALS8 O00214 2/20 0.36
LGALS3 P17931 2/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
CNR1 P21554 1/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SUMO3 P55854 1/20 0.35
SUMO2 P61956 1/20 0.35
SUMO1 P63165 1/20 0.35

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
SCHEMBL1706093 0.85 CNR1 (0.41) S1PR1KMT2ARAB9AALDH1A1CNR1
SCHEMBL4108331 0.82 KMT2A (0.38) S1PR1GAAKMT2ARAB9ALGALS8
SCHEMBL2274481 0.75 S1PR1 (0.47) S1PR1CYP2C19S1PR3
SCHEMBL1705572 0.75 ADRB2 (0.38) GAAKMT2ARAB9AALDH1A1MAPT
SCHEMBL12156213 0.74 CYP1A2 (0.38) S1PR1KMT2AALDH1A1CNR1POLB
SCHEMBL2280153 0.70 CNR1 (0.41) S1PR1GAARAB9AALDH1A1LMNA
SCHEMBL12156293 0.69 ALDH1A1 (0.42) S1PR1GAAKMT2ARAB9AALDH1A1
SCHEMBL1706897 0.66 KMT2A (0.38) GAAKMT2AALDH1A1MAPTMEN1
SCHEMBL1706534 0.66 CNR1 (0.41) S1PR1KMT2ARAB9AALDH1A1LMNA
SCHEMBL12156341 0.66 CNR1 (0.45) S1PR1GAAKMT2ARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177512-B1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO LTD (JP) 2012-04-18 EP disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
EP-2177512-A1 INHIBITOR OF BINDING OF S1P1 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 EP 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-20100234594-A1 INHIBITOR OF BINDING OF S1P1 S1PR1, S1PR3, EDNRB S1PR1 1/4885GAA 4794/4885KMT2A 4149/4885

“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.