SCHEMBL4472069

SCHEMBL4472069

CCOC(=O)c1cccc2c(OS(=O)(=O)C(F)(F)F)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CDC25B P30305 5/20 0.45
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 3/20 0.42
CLEC4M Q9H2X3 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42
PDK2 Q15119 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CCR6 P51684 1/20 0.40
MEN1 O00255 2/20 0.40
ACHE P22303 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL8189712 0.87 TSHR (0.56) TSHRCDC25BKDM4EKMT2APDK2
SCHEMBL1028488 0.80 CA1 (0.41) TSHRCDC25BKDM4EKMT2ACDC25A
SCHEMBL9080409 0.79 TSHR (0.43) TSHRKDM4EKMT2AALDH1A1HSD17B10
SCHEMBL2115262 0.79 CDC25B (0.48) TSHRCDC25BKDM4EKMT2ACLEC4M
SCHEMBL4830101 0.79 CA12 (0.50) TSHRKDM4EKMT2AALDH1A1CA12
SCHEMBL9150759 0.78 TSHR (0.73) TSHRCDC25BKDM4EKMT2ACLEC4M
SCHEMBL29706003 0.78 MEN1 (0.42) KMT2AMEN1
SCHEMBL203899 0.78 MEN1 (0.42) KMT2AMEN1
SCHEMBL4467822 0.77 PLK1 (0.44) TSHRCDC25BKDM4EKMT2AALDH1A1
SCHEMBL11955735 0.77 KDM4E (0.47) TSHRCDC25BKDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 TSHR 1187/4885CDC25B 3351/4885KDM4E 2289/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 TSHR 3005/4885CDC25B 2961/4885KDM4E 1554/4885

“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.