SCHEMBL5364732

SCHEMBL5364732

N[C@@H](Cc1ccc(O)cc1)C(=O)ON1CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.55
SLC7A5 Q01650 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
NOTUM Q6P988 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
TYR P14679 1/20 0.39
RGS12 O14924 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL27717490 0.77 NOTUM (0.46) NPC1RAB9AL3MBTL1NOTUMTSHR
SCHEMBL28048629 0.76 NOTUM (0.47) NPC1RAB9AL3MBTL1NOTUMTSHR
SCHEMBL8024012 0.75 OPRM1 (0.69) HDAC8DPP4OPRM1OPRD1OPRK1
SCHEMBL2243756 0.73 SLC7A5 (0.51) HDAC8SLC7A5DPP4TYR
SCHEMBL2243752 0.73 SLC7A5 (0.51) HDAC8SLC7A5DPP4TYR
SCHEMBL28177422 0.72 SLC7A5 (0.54) HDAC8SLC7A5DPP4TYR
SCHEMBL27761216 0.72 NOTUM (0.57) NPC1RAB9ANOTUMTSHR
SCHEMBL5069267 0.72 ALDH1A1 (0.50) NPC1RAB9AL3MBTL1NOTUMTSHR
Tyrosine SCHEMBL28027026 0.71 SLC7A5 (0.75) HDAC8SLC7A5ALOX15HIF1AHSD17B10
SCHEMBL1422055 0.70 SLC7A5 (0.64) HDAC8SLC7A5TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 US disclosed
US-20030108946-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2003-06-12 US disclosed
US-20020022626-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease TANG PENG CHO (US) 2002-02-21 US disclosed
US-6147106-A USEFUL FOR THE TREATMENT OF DISEASES RELATED TO UNREGULATED PROTEIN KINASE SIGNAL TRANSDUCTION, INCLUDING CELL PROLIFERATIVE DISEASES SUCH AS CANCER, ATHEROSCLEROSIS, ARTHRITIS AND RESTENOSIS AND METABOLIC DISEASES SUCH AS SUGEN, INC. (US) 2000-11-14 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 (3 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-20020022626-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK HDAC8 4568/4885SLC7A5 2357/4885NPC1 4748/4885
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK HDAC8 4581/4885SLC7A5 2156/4885NPC1 4684/4885
US-20030108946-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK HDAC8 4568/4885SLC7A5 2357/4885NPC1 4748/4885

“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.