SCHEMBL12929554

SCHEMBL12929554

N=C(N)NCCC(=O)N1CCN(CS(=O)(=O)c2ccc(CN3CCOCC3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ TSHR P16473 2/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HRH3 Q9Y5N1 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
SCHEMBL17826521 0.87 ALDH1A1 (0.50) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL12929553 0.85 ALDH1A1 (0.53) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL12929498 0.81 MEN1 (0.43) KMT2AALDH1A1MEN1SMN1; SMN2TSHR
SCHEMBL12929505 0.80 MEN1 (0.45) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL12929494 0.78 NPC1 (0.46) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL12929501 0.78 F2 (0.43) ALDH1A1SMN1; SMN2LMNATSHRPOLB
SCHEMBL12929491 0.77 ALDH1A1 (0.49) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL12929489 0.77 ALDH1A1 (0.46) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL12929473 0.76 F10 (0.44) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL13222784 0.72 NPC1 (0.47) KMT2AALDH1A1MEN1SMN1; SMN2LMNA

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-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 — — 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-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD KMT2A 2101/4885ALDH1A1 1899/4885MEN1 1533/4885

“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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