SCHEMBL1202307

SCHEMBL1202307

CCC(C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(SC(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 19/20 0.57
AKR1C2 P52895 19/20 0.57
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
AKR1B10 O60218 2/20 0.50
AKR1C4 P17516 2/20 0.50
AKR1C1 Q04828 2/20 0.50

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
SCHEMBL1202457 0.88 AKR1C3 (0.46) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL15858097 0.85 AKR1C3 (0.48) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL4597558 0.84 AKR1C3 (0.65) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL1202768 0.81 AKR1C3 (0.56) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL1202770 0.78 AKR1C3 (0.55) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL1903665 0.77 AKR1C3 (0.59) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL8036174 0.76 PSEN1 (0.53) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL4597117 0.76 PSEN1 (0.72) AKR1C3AKR1C2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL2763475 0.76 AKR1C3 (0.58) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL4597386 0.75 PSEN1 (0.54) AKR1C3AKR1C2PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 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-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 AKR1C3 3717/4885AKR1C2 3410/4885PSEN1 3/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 AKR1C3 3717/4885AKR1C2 3410/4885PSEN1 3/4885

“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.