SCHEMBL18701967

SCHEMBL18701967

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ EPHX2 P34913 1/20 0.51
▸ CNR1 P21554 2/20 0.46
▸ GPR183 P32249 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SPR P35270 1/20 0.45
▸ F13A1 P00488 1/20 0.45
▸ TGM2 P21980 1/20 0.45
▸ TGM1 P22735 1/20 0.45
▸ TGM3 Q08188 1/20 0.45
▸ PKM P14618 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL18702061 0.88 ALDH1A1 (0.57) ALDH1A1GPR183MEN1KMT2ASPR
SCHEMBL18711638 0.86 ALDH1A1 (0.70) ALDH1A1EPHX2CNR1GPR183MEN1
SCHEMBL18702069 0.81 PKM (0.66) ALDH1A1GPR183MEN1KMT2APKM
SCHEMBL18701981 0.81 CNR1 (0.53) ALDH1A1CNR1MEN1KMT2A
SCHEMBL18702068 0.79 MEN1 (0.61) ALDH1A1GPR183MEN1KMT2APKM
SCHEMBL18702169 0.78 MAPT (0.67) ALDH1A1CNR1GPR183KMT2APKM
SCHEMBL18702070 0.78 MEN1 (0.74) ALDH1A1CNR1MEN1KMT2ATSHR
SCHEMBL18702176 0.77 PKM (0.58) ALDH1A1GPR183MEN1KMT2APKM
SCHEMBL19348509 0.76 KMT2A (0.53) ALDH1A1EPHX2MEN1KMT2APKM
SCHEMBL18702064 0.76 KMT2A (0.56) CNR1GPR183MEN1KMT2APKM

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 ALDH1A1 374/4885EPHX2 1398/4885CNR1 568/4885

“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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