SCHEMBL16506294

SCHEMBL16506294

O=C(c1ccc(C(F)(F)F)c(Cl)c1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.51
NOTUM Q6P988 4/20 0.49
MGLL Q99685 4/20 0.46
PDK2 Q15119 2/20 0.41
P2RY4 P51582 1/20 0.40
KDR P35968 1/20 0.40
KMO O15229 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL18286056 0.82 KIF11 (0.50) HSD11B1MGLLPDK2
SCHEMBL6678525 0.79 KMO (0.59) HSD11B1MGLLKMO
SCHEMBL4671351 0.79 HSD11B1 (0.59) HSD11B1NOTUMMGLLKDR
SCHEMBL16505883 0.79 KMO (0.68) HSD11B1NOTUMKMO
SCHEMBL16506324 0.78 HSD11B1 (0.50) HSD11B1MGLL
SCHEMBL24400223 0.78 KMO (0.43) NOTUMKDRKMO
SCHEMBL1920001 0.78 TSHR (0.59) NOTUMPDK2KDRKMO
SCHEMBL9526608 0.78 NOTUM (0.46) NOTUMKDRKMO
SCHEMBL29624981 0.78 TSHR (0.59) NOTUMPDK2KDRKMO
SCHEMBL30255650 0.78 NOTUM (0.46) NOTUMKDRKMO

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-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-09 US disclosed
US-9822058-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-11-21 US disclosed
US-20150057238-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2015-02-26 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-20150057238-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT HSD11B1 381/4885NOTUM 527/4885MGLL 936/4885
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT HSD11B1 381/4885NOTUM 527/4885MGLL 936/4885

“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.