SCHEMBL18701940

SCHEMBL18701940

CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 10/20 0.67
▸ RAB9A P51151 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ JAK2 O60674 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ GPR183 P32249 1/20 0.54

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
SCHEMBL18711517 0.84 PKM (0.73) PKMRAB9ANPC1ALDH1A1KMT2A
SCHEMBL16781 0.83 PKM (0.71) PKMRAB9ANPC1ALDH1A1KMT2A
SCHEMBL30754639 0.78 PKM (0.67) PKMALDH1A1KMT2APOLB
SCHEMBL28819251 0.78 PKM (0.67) PKMALDH1A1KMT2A
SCHEMBL17175752 0.78 KMT2A (0.73) PKMRAB9ANPC1ALDH1A1KMT2A
SCHEMBL18701934 0.77 L3MBTL1 (0.57) PKMALDH1A1KMT2APOLBMAPT
SCHEMBL18701963 0.77 ALDH1A1 (0.61) PKMNPC1ALDH1A1KMT2APOLB
SCHEMBL2890913 0.76 PKM (0.70) PKMALDH1A1KMT2A
SCHEMBL5415687 0.75 PKM (0.85) PKMRAB9ANPC1ALDH1A1KMT2A
SCHEMBL18701981 0.74 CNR1 (0.53) ALDH1A1KMT2A

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-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR PKM 2544/4885RAB9A 4069/4885NPC1 2977/4885

“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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