SCHEMBL6565962

SCHEMBL6565962

N=C(N)c1ccc(NCC#Cc2ccc(C(=O)N3CCCC3CO)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.41
F2 P00734 2/20 0.39
PREP P48147 1/20 0.39
ROCK2 O75116 1/20 0.38
POLB P06746 1/20 0.38
DPP4 P27487 1/20 0.38
F11 P03951 1/20 0.38
SPHK1 Q9NYA1 5/20 0.38
GRM3 Q14832 3/20 0.38
HSD11B1 P28845 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PDK2 Q15119 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL6561970 0.88 GAA (0.49) F2PREPDPP4F11HSD11B1
SCHEMBL6563029 0.86 ALDH1A1 (0.51) SPHK2F2F11SPHK1
SCHEMBL6563770 0.85 SPHK1 (0.43) SPHK2F2F11SPHK1PDK2
SCHEMBL6563511 0.83 PTPN11 (0.40) SPHK2ROCK2POLBSPHK1GRM3
SCHEMBL6563675 0.81 F10 (0.47) F10
SCHEMBL6565941 0.81 F10 (0.47) F10
SCHEMBL6565424 0.81 ITGB3 (0.42) F2HSD11B1
SCHEMBL6563450 0.80 F10 (0.48) F2F10
SCHEMBL6565248 0.80 GRM5 (0.56) POLBGRM3HSD11B1
SCHEMBL6564957 0.80 F2 (0.38) F2HSD11B1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed
US-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-09 US 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-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 SPHK2 2495/4885F2 1040/4885PREP 69/4885

“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.