SCHEMBL19375765

SCHEMBL19375765

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.50
▸ ALDH1A1 P00352 1/20 0.44
▸ SPHK1 Q9NYA1 5/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ S1PR3 Q99500 2/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SPHK2 Q9NRA0 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LARS1 Q9P2J5 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ S1PR5 Q9H228 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
SCHEMBL22644041 0.83 LTA4H (0.45) LTA4HALDH1A1SPHK1S1PR1S1PR3
Hydrochloric Acid SCHEMBL21724241 0.82 LTA4H (0.51) LTA4HSPHK1S1PR1S1PR3SPHK2
Hydrochloric Acid SCHEMBL21724243 0.82 LTA4H (0.51) LTA4HSPHK1S1PR1S1PR3SPHK2
SCHEMBL19375764 0.80 SPHK1 (0.49) LTA4HSPHK1S1PR1S1PR3SPHK2
SCHEMBL19234502 0.79 CRHBP (0.51) LTA4HSPHK1S1PR1S1PR3TP53
SCHEMBL20715719 0.76 SPHK1 (0.59) SPHK1S1PR1S1PR3SPHK2S1PR4
SCHEMBL20715718 0.76 GAA (0.55) LTA4HSPHK1MAPTSPHK2AAK1
SCHEMBL25863651 0.76 AAK1 (0.56) LTA4HAAK1LARS1
SCHEMBL19375763 0.75 HTR2A (0.57) LTA4HALDH1A1MAPTMEN1KMT2A
SCHEMBL6291030 0.75 LTA4H (0.45) LTA4HSPHK1S1PR1S1PR3SPHK2

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 LTA4H 733/4885ALDH1A1 3614/4885SPHK1 2085/4885

“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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