SCHEMBL6284488

SCHEMBL6284488

OCCCc1c(F)cccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 2/20 0.37
CD38 P28907 1/20 0.37
KCNH2 Q12809 1/20 0.37
P2RX7 Q99572 1/20 0.36
FABP4 P15090 1/20 0.35
TAAR1 Q96RJ0 3/20 0.35
HSD11B1 P28845 2/20 0.35
PTGS2 P35354 1/20 0.35
MGLL Q99685 1/20 0.34
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GNRHR P30968 1/20 0.33
KIF11 P52732 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
SCHEMBL2551774 0.82 TAAR1 (0.42) SMN1; SMN2TAAR1KDM4EPOLB
SCHEMBL19303142 0.82 HSD11B1 (0.41) STIM1ORAI1SLC6A2SLC6A4SMN1; SMN2
SCHEMBL2776951 0.81 STIM1 (0.42) STIM1ORAI1SLC6A2SLC6A4CYP3A4
SCHEMBL29009966 0.80 FFAR4 (0.44) STIM1ORAI1SMN1; SMN2CYP3A4FABP4
SCHEMBL27747471 0.79 TAAR1 (0.55) STIM1ORAI1SLC6A2SLC6A4SMN1; SMN2
SCHEMBL28771011 0.78 SLC6A2 (0.35) STIM1ORAI1SLC6A2SLC6A4SMN1; SMN2
SCHEMBL12157171 0.78 SLC6A2 (0.42) STIM1ORAI1SLC6A2SLC6A4SMN1; SMN2
SCHEMBL7429008 0.78 SLC6A2 (0.39) STIM1ORAI1SLC6A2SLC6A4SMN1; SMN2
SCHEMBL27747472 0.78 SLC6A2 (0.39) STIM1ORAI1SLC6A2SLC6A4SMN1; SMN2
SCHEMBL15163825 0.78 STIM1 (0.40) STIM1ORAI1SLC6A2SLC6A4CYP3A4

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-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 EP 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM STIM1 1933/4885ORAI1 4842/4885SLC6A2 4691/4885

“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.