SCHEMBL18012015

SCHEMBL18012015

O=C1OC[C@H](c2ccccc2)N2C1[C@@H](c1ccc(OC(F)F)cc1)O[C@H]2c1ccc(OC(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
ALDH1A1 P00352 4/20 0.32
GPR174 Q9BXC1 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
CCR6 P51684 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 1/20 0.30
REN P00797 1/20 0.30

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
SCHEMBL19795858 0.95 LMNA (0.34) STING1KMT2AMEN1NPC1RAB9A
SCHEMBL19795842 0.86 ALDH1A1 (0.34) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL18011887 0.85 MAPK1 (0.44) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL18011890 0.85 MDM2 (0.38) KMT2AMEN1NR1H2NR1H3CCR6
SCHEMBL18011728 0.84 CYP19A1 (0.36) ALDH1A1MAPTHPGDHTTATM
SCHEMBL19795849 0.82 MAPK1 (0.41) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL737972 0.82 TP53 (0.41) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL18011735 0.81 SCN9A (0.35) KMT2AMAPTHTTATM
SCHEMBL19795853 0.81 MDM2 (0.38) KMT2AMEN1NR1H2NR1H3LMNA
SCHEMBL5552934 0.79 IDH1 (0.36) KMT2AMEN1ALDH1A1MAPTHTT

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-10202340-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-12 US disclosed
US-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2018-01-25 US disclosed
WO-2016126572-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-08-11 WO 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 (2 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-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME GBA1, GBA2, GAA STING1 1651/4885KMT2A 2914/4885MEN1 3939/4885
US-10202340-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same GBA1, GBA2, GAA STING1 1651/4885KMT2A 2914/4885MEN1 3939/4885

“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.