SCHEMBL17300179

SCHEMBL17300179

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.49
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ F2 P00734 1/20 0.45
▸ PLG P00747 1/20 0.45
▸ PLAU P00749 1/20 0.45
▸ PLAT P00750 1/20 0.45
▸ KLKB1 P03952 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SPHK1 Q9NYA1 9/20 0.42
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 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
SCHEMBL17300184 0.83 NPC1 (0.43) HSD17B10CA1CA2CA7CA14
SCHEMBL19375764 0.83 SPHK1 (0.49) CA1CA2F2PLGPLAU
SCHEMBL16005853 0.82 CA1 (0.60) HSD17B10CA1CA2CA7CA14
SCHEMBL24797595 0.82 SPHK1 (0.51) HSD17B10CA1CA2F2PLG
SCHEMBL2623845 0.81 NPC1 (0.47) HSD17B10CA1CA2CA7CA14
SCHEMBL17823132 0.80 TAAR1 (0.60) CA1CA2SPHK1GAAMAPT
SCHEMBL17823130 0.80 TAAR1 (0.60) CA1CA2SPHK1GAAMAPT
SCHEMBL8952281 0.80 KMT2A (0.58) HSD17B10CA1CA2MEN1RAB9A
SCHEMBL31206931 0.79 SPHK1 (0.45) HSD17B10CA1CA2F2PLG
SCHEMBL18099876 0.77 HSD17B10 (0.49) HSD17B10CA1CA2CA7CA14

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
US-20170232023-A1 PEPTIDE-DRUG CONJUGATES JIARAY PHARMACEUTICALS INC (KY) 2017-08-17 — — US disclosed
US-9579317-B2 Peptide-drug conjugates JIARUI BIOPHARMACEUTICALS, LTD. (CN) 2017-02-28 — — US disclosed
US-20150343083-A1 PEPTIDE-DRUG CONJUGATES JIARAY PHARMACEUTICALS, INC. (KY) 2015-12-03 — — 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 (2 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-20170232023-A1 PEPTIDE-DRUG CONJUGATES DNPEP, VIP, PEPD HSD17B10 2224/4885CA1 34/4885CA2 137/4885
US-20150343083-A1 PEPTIDE-DRUG CONJUGATES DNPEP, VIP, PEPD HSD17B10 2224/4885CA1 34/4885CA2 137/4885

“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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