SCHEMBL1705595

SCHEMBL1705595

CCc1c(C=O)ccnc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ERN1 O75460 1/20 0.30

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
SCHEMBL12893310 0.76 NOS3 (0.39) NOS3NOS2
SCHEMBL29955484 0.75 CCR1 (0.45) CCR1CCR5CCR8NOS3NOS2
SCHEMBL29955416 0.74 CCR1 (0.48) CCR1CCR5CCR8ALDH1A1L3MBTL1
SCHEMBL28114355 0.74 CCR1 (0.48) CCR1CCR5CCR8ALDH1A1L3MBTL1
SCHEMBL19852947 0.74 NOS2 (0.41) NOS3NOS2
SCHEMBL6851211 0.73 TDP1 (0.41) ALDH1A1L3MBTL1TRIM24TRIM33LMNA
SCHEMBL18398216 0.71 NOS2 (0.47) NOS3NOS2
SCHEMBL2894661 0.71 CCR1 (0.45) CCR1CCR5CCR8ALDH1A1TRIM24
SCHEMBL1706079 0.71 NOS3 (0.38) NOS3NOS2
SCHEMBL22863922 0.71 NOS3 (0.38) NOS3NOS2ALDH1A1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101790517-B Suppression of S1P1Bound material TAISHO PHARMACEUTICAL CO LTD 2013-08-21 CN disclosed
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-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US 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
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
CN-101790517-A Suppression of S1P1Bound material TAISHO PHARMACEUTICAL CO LTD 2010-07-28 CN 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 CCR1 9/4885CCR5 216/4885CCR8 154/4885

“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.