SCHEMBL19090102

SCHEMBL19090102

O=CC(=O)CCc1ccc(O)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
FFAR1 O14842 2/20 0.39
DEGS1 O15121 10/20 0.37
HCAR2 Q8TDS4 3/20 0.35
ME2 P23368 2/20 0.33
ME1 P48163 2/20 0.33
ME3 Q16798 2/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL27910701 0.81 FFAR1 (0.38) FFAR1
SCHEMBL13680812 0.77 ESR1 (0.42) ESR1ESR2FFAR1DEGS1
SCHEMBL27893674 0.76 SLC2A1 (0.47)
SCHEMBL851581 0.75 MIF (0.44) ESR1ESR2FFAR1DEGS1
SCHEMBL28018963 0.72 ESR1 (0.39) ESR1ESR2DEGS1
SCHEMBL2080801 0.72 CYP4F2 (0.47) ESR1ESR2
SCHEMBL19555364 0.72 ESR1 (0.44) ESR1ESR2DEGS1
SCHEMBL2429377 0.71 ESR1 (0.47) ESR1ESR2FFAR1DEGS1
SCHEMBL19079047 0.71 ESR1 (0.39) ESR1ESR2FFAR1DEGS1ME2
SCHEMBL4178273 0.70 CA2 (0.50) ESR1ESR2FFAR1DEGS1ME2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10688200-B2 Urea-based prostate specific membrane antigen (PSMA) inhibitors for imaging and therapy FIVE ELEVEN PHARMA INC. (US) 2020-06-23 US disclosed
US-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY FIVE ELEVEN PHARMA INC. 2017-07-06 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 (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-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY KLK3, FOLH1, UTS2R ESR1 1149/4885ESR2 1747/4885FFAR1 742/4885
US-10688200-B2 Urea-based prostate specific membrane antigen (PSMA) inhibitors for imaging and therapy KLK3, FOLH1, UTS2R ESR1 1149/4885ESR2 1747/4885FFAR1 742/4885

“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.