SCHEMBL19375764

SCHEMBL19375764

NC(=O)C[C@H](N)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 6/20 0.49
▸ LTA4H P09960 2/20 0.47
▸ SPHK2 Q9NRA0 1/20 0.47
▸ AAK1 Q2M2I8 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ PLAT P00750 1/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ S1PR1 P21453 6/20 0.42
▸ S1PR3 Q99500 6/20 0.42
▸ ROCK1 Q13464 1/20 0.41
▸ MYLK4 Q86YV6 1/20 0.41
▸ S1PR4 O95977 4/20 0.40
▸ S1PR5 Q9H228 4/20 0.40
▸ S1PR2 O95136 1/20 0.40

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
SCHEMBL19234502 0.86 CRHBP (0.51) SPHK1LTA4HSPHK2AAK1S1PR1
SCHEMBL17300186 0.83 SPHK1 (0.49) SPHK1LTA4HSPHK2AAK1SLC1A3
SCHEMBL20715719 0.83 SPHK1 (0.59) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL20715718 0.83 GAA (0.55) SPHK1LTA4HSPHK2AAK1LARS1
SCHEMBL17300179 0.83 HSD17B10 (0.49) SPHK1SPHK2F2PLGPLAU
SCHEMBL20164120 0.83 SPHK1 (0.52) SPHK1LTA4HSPHK2F2PLG
SCHEMBL17201789 0.83 SPHK1 (0.52) SPHK1LTA4HSPHK2F2PLG
SCHEMBL14956872 0.83 SPHK1 (0.52) SPHK1LTA4HSPHK2F2PLG
SCHEMBL2623846 0.83 AAK1 (0.63) SPHK1SPHK2AAK1LARS1
SCHEMBL6291030 0.82 LTA4H (0.45) SPHK1LTA4HSPHK2AAK1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2017-09-21 — — 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-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF CD4, MET, TNFSF10 SPHK1 2085/4885LTA4H 733/4885SPHK2 2432/4885

“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.

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