SCHEMBL1312296

SCHEMBL1312296

N#Cc1cc(F)c(O)c(I)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.72
ALB P02768 2/20 0.72
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ACLY P53396 1/20 0.32
PTPN11 Q06124 1/20 0.32
MAP2K1 Q02750 1/20 0.31
CYP19A1 P11511 1/20 0.31
EGLN2 Q96KS0 2/20 0.30
MMP3 P08254 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30

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
Ioxynil SCHEMBL1701373 0.84 TTR (1.00) TTRALBMEN1KMT2ACA12
SCHEMBL198609 0.84 TTR (0.52) TTRALBMEN1KMT2ACA12
Ioxynil SCHEMBL39616 0.84 TTR (1.00) TTRALBMEN1KMT2ACA12
Ioxynil SCHEMBL8211431 0.82 TTR (0.95) TTRALBMEN1KMT2ACA12
Ioxynil SCHEMBL1614655 0.82 TTR (0.95) TTRALBMEN1KMT2ACA12
Ioxynil SCHEMBL3687268 0.82 TTR (0.95) TTRALBMEN1KMT2ACA12
SCHEMBL23099521 0.78 TTR (0.52) TTRALBMEN1KMT2AEGLN2
SCHEMBL2786381 0.78 KIF11 (0.49) TTRALBCA12CA2CA3
SCHEMBL24193570 0.77 TTR (0.83) TTRALBMEN1KMT2ACA12
SCHEMBL11871037 0.77 TTR (0.75) TTRALBMEN1KMT2ACA12

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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 WO disclosed
US-5643929-A TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES SANOFI WINTHROP, INC. (US) 1997-07-01 US disclosed
US-5464848-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1995-11-07 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 TTR 4181/4885ALB 4786/4885MEN1 2381/4885

“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.