SCHEMBL10064798

SCHEMBL10064798

CC(C)(C)c1ccc(F)c(-c2cccc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PGR P06401 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PLA2G1B P04054 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
KIF11 P52732 1/20 0.38
SCD O00767 1/20 0.37
TDO2 P48775 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL10064796 0.82 NPC1 (0.47) AKR1C3AKR1C2NPC1RAB9AALDH1A1
SCHEMBL10064833 0.82 AKR1C3 (0.46) AKR1C3AKR1C2KIF11MAOB
SCHEMBL28077288 0.82 ALOX5 (0.50) PGRALDH1A1ESR2KMT2AMEN1
SCHEMBL10064821 0.81 PTGS2 (0.45) AKR1C3AKR1C2NPC1RAB9AALDH1A1
SCHEMBL10064797 0.81 SCD (0.43) AKR1C3AKR1C2NPC1RAB9AALDH1A1
SCHEMBL30496503 0.80 PGR (0.42) PGRNPC1RAB9AALDH1A1PLA2G1B
SCHEMBL10064807 0.78 IKBKB (0.42) SCD
SCHEMBL24443242 0.77 AKR1C3 (0.43) AKR1C3AKR1C2NPC1RAB9AKIF11
SCHEMBL26805949 0.77 ESR2 (0.43) ALDH1A1TDO2ESR2DHFRALOX5
SCHEMBL10064834 0.77 FFAR4 (0.41) NPC1RAB9AALDH1A1PLA2G1BNFKB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 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-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC18A2, SLC1A2, SLC6A1 AKR1C3 2372/4885AKR1C2 1974/4885PGR 2006/4885

“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.