SCHEMBL13749706

SCHEMBL13749706

C[C@H](C(=O)O)[C@H](N)c1ccc(N=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ TSHR P16473 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ PTGS2 P35354 5/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ PTGS1 P23219 4/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ CXCR1 P25024 2/20 0.33
▸ CXCR2 P25025 2/20 0.33
▸ KMT2A Q03164 2/20 0.33

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
SCHEMBL25178201 0.79 ESR1 (0.46) TDP1CYP3A4HIF1APTGS2PTGS1
SCHEMBL804146 0.79 DPP4 (0.54) ALDH1A1MAPK1HIF1ALMNACYP2D6
SCHEMBL5862033 0.79 DPP4 (0.54) ALDH1A1MAPK1HIF1ALMNACYP2D6
SCHEMBL4674647 0.79 DPP4 (0.54) ALDH1A1MAPK1HIF1ALMNACYP2D6
SCHEMBL804233 0.79 DPP4 (0.54) ALDH1A1MAPK1HIF1ALMNACYP2D6
SCHEMBL3886489 0.79 DPP4 (0.54) ALDH1A1MAPK1HIF1ALMNACYP2D6
SCHEMBL16967371 0.79 DPP4 (0.54) ALDH1A1MAPK1HIF1ALMNACYP2D6
SCHEMBL7415779 0.79 DPP4 (0.54) ALDH1A1MAPK1HIF1ALMNACYP2D6
SCHEMBL16967416 0.78 ADRB2 (0.52) HSD17B10TSHRCYP3A4CYP2C9LMNA
SCHEMBL831692 0.78 ADRB2 (0.52) HSD17B10TSHRCYP3A4CYP2C9LMNA

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-20090198084-A1 PROCESS FOR THE DEPROTECTION OF PROTECTED AMINES DSM IP ASSETS B.V. (NL) 2009-08-06 — — 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-20090198084-A1 PROCESS FOR THE DEPROTECTION OF PROTECTED AMINES BCAT2, ADH1C, BCAT1 HSD17B10 839/4885ALDH1A1 96/4885TSHR 1393/4885

“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.

Send feedback