SCHEMBL3222252

SCHEMBL3222252

O=S(=O)(Oc1cccc2c(O)cccc12)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.55
ESR2 Q92731 13/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
GAA P10253 3/20 0.55
JAK2 O60674 1/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CDK2 P24941 1/20 0.44
POLB P06746 1/20 0.40
DRD2 P14416 4/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
HTR5A P47898 1/20 0.38
LDHA P00338 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL203899 0.91 MEN1 (0.42) ESR1ESR2MEN1KMT2AGAA
SCHEMBL29706003 0.91 MEN1 (0.42) ESR1ESR2MEN1KMT2AGAA
Methylsulfanylmethane SCHEMBL22441905 0.86 ESR1 (0.48) ESR1ESR2MEN1KMT2AGAA
SCHEMBL6851155 0.83 MEN1 (0.38) ESR1ESR2MEN1KMT2AGAA
SCHEMBL15307384 0.83 MEN1 (0.41) ESR1ESR2MEN1KMT2AGAA
SCHEMBL12476299 0.83 MEN1 (0.41) ESR1ESR2MEN1KMT2AGAA
SCHEMBL6937413 0.82 HSD11B1 (0.50) ESR1ESR2MEN1KMT2AGAA
SCHEMBL9999646 0.81 MEN1 (0.49) ESR1ESR2MEN1KMT2AGAA
SCHEMBL6812319 0.81 ALDH1A1 (0.43) ESR1ESR2MEN1KMT2AGAA
SCHEMBL5372354 0.81 CYP1A2 (0.43) ESR1ESR2MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116538-B1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-27 EP disclosed
US-8367695-B2 Condensed tetrahydroquinoline derivative and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-05 US disclosed
US-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 US disclosed
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
EP-2116538-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-11-11 EP disclosed
CN-1802355-A Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2006-07-12 CN 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 (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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 ESR1 521/4885ESR2 372/4885MEN1 4134/4885
US-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES NR3C2, MC2R, NR5A1 ESR1 216/4885ESR2 176/4885MEN1 1211/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ESR1 4357/4885ESR2 3320/4885MEN1 4292/4885

“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.