SCHEMBL18711638

SCHEMBL18711638

CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.70
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ EPHX2 P34913 1/20 0.53
▸ GPR183 P32249 1/20 0.50
▸ MAPT P10636 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SPR P35270 1/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ ACLY P53396 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ F13A1 P00488 1/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ TGM1 P22735 1/20 0.44
▸ TGM3 Q08188 1/20 0.44

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
SCHEMBL18711646 0.87 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AGPR183MAPT
SCHEMBL18701967 0.86 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AEPHX2GPR183
SCHEMBL18711516 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTCNR1
SCHEMBL18711334 0.78 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AGPR183MAPT
SCHEMBL18711518 0.78 PKM (0.71) ALDH1A1MEN1KMT2AGPR183PKM
SCHEMBL19348509 0.78 KMT2A (0.53) ALDH1A1MEN1KMT2AEPHX2MAPT
SCHEMBL25785542 0.78 EPHX2 (0.48) ALDH1A1EPHX2POLBSMN1; SMN2SPR
SCHEMBL2953590 0.78 EPHX2 (0.47) ALDH1A1MEN1KMT2AEPHX2MAPT
SCHEMBL3324771 0.77 CNR1 (0.54) ALDH1A1KMT2AEPHX2MAPTCNR1
SCHEMBL18711335 0.76 MEN1 (0.65) ALDH1A1MEN1KMT2AGPR183PKM

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-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 ALDH1A1 374/4885MEN1 4876/4885KMT2A 2884/4885

“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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