SCHEMBL18702270

SCHEMBL18702270

CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.53
▸ SPR P35270 1/20 0.49
▸ LIPE Q05469 2/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KDM2B Q8NHM5 1/20 0.45
▸ AKR1C3 P42330 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ GPR183 P32249 1/20 0.41

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
SCHEMBL18711904 0.89 CHRM1 (0.54) CHRM1SPRLIPEKMT2AMEN1
SCHEMBL18711931 0.81 KMT2A (0.73) KMT2AMEN1PKMALDH1A1
SCHEMBL18702176 0.80 PKM (0.58) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL28663136 0.80 TSHR (0.62) CHRM1LIPEKMT2AMEN1KDM2B
SCHEMBL31684033 0.80 TSHR (0.62) CHRM1LIPEKMT2AMEN1KDM2B
SCHEMBL18702188 0.80 EPHX2 (0.53) LIPEKMT2AMEN1PKMSMN1; SMN2
SCHEMBL18701958 0.79 EPHX2 (0.49) KMT2AMEN1ALDH1A1CNR1SMN1; SMN2
SCHEMBL18701981 0.79 CNR1 (0.53) KMT2AMEN1ALDH1A1CNR1
SCHEMBL27848170 0.79 MEN1 (0.49) CHRM1SPRLIPEKMT2AMEN1
SCHEMBL25145574 0.78 KMT2A (0.48) CHRM1LIPEKMT2AMEN1KDM2B

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 CHRM1 3106/4885SPR 1/4885LIPE 2654/4885

“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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