SCHEMBL14360347

SCHEMBL14360347

O=S(=O)(OCCc1cccnc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CHRNA7 P36544 3/20 0.45
TBXAS1 P24557 7/20 0.44
FDPS P14324 2/20 0.43
CA9 Q16790 1/20 0.42
CYP2A6 P11509 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6586107 0.82 CA2 (0.68) CA1CA2CA9TDP1
SCHEMBL1162017 0.80 CHRNA7 (0.49) CHRNA7TBXAS1CYP2A6TDP1L3MBTL1
SCHEMBL1772727 0.79 TBXAS1 (0.43) CHRNA7TBXAS1FDPSCYP2A6NAPRT
SCHEMBL28017528 0.79 NAMPT (0.48) CA1CA2CHRNA7TBXAS1CA9
SCHEMBL14716358 0.78 CA2 (0.55) CA1CA2CA9
SCHEMBL2148560 0.76 FDPS (0.43) TBXAS1FDPSNAPRT
SCHEMBL27807750 0.74 TBXAS1 (0.42) TBXAS1FDPSTDP1
SCHEMBL26860610 0.73 CHRNA7 (0.57) CHRNA7TBXAS1CYP2A6TDP1L3MBTL1
SCHEMBL3890904 0.73 CA2 (0.56) CA1CA2CA9
SCHEMBL9572659 0.73 TAAR1 (0.53) CA1CA2

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
EP-2723727-B1 METHOD FOR INDUSTRIALLY PREPARING NITROGEN SUBSTITUTED AMINO-5,6,7,8-TETRAHYDRONAPHTHOL SHAN DONG LUYE PHARM CO LTD (CN) 2017-03-01 EP disclosed
US-8809590-B2 Method for industrially preparing nitrogen substituted amino-5,6,7,8-tetrahydronaphthol SHAN DONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2014-08-19 US disclosed
CN-103649071-B Industrial preparation method of nitrogen-substituted amino 5,6,7, 8-tetrahydronaphthol SHANDONG LVYE PHARMACEUTICAL CO LTD 2014-07-30 CN disclosed
US-20140121380-A1 METHOD FOR INDUSTRIALLY PREPARING NITROGEN SUBSTITUTED AMINO-5,6,7,8-TETRAHYDRONAPHTHOL SHAN DONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2014-05-01 US disclosed
EP-2723727-A1 METHOD FOR INDUSTRIALLY PREPARING NITROGEN SUBSTITUTED AMINO-5,6,7,8-TETRAHYDRONAPHTHOL Shan Dong Luye Pharmaceutical Co., Ltd. (CN) 2014-04-30 EP disclosed
WO-2013000273-A1 METHOD FOR INDUSTRIALLY PREPARING NITROGEN SUBSTITUTED AMINO-5,6,7,8-TETRAHYDRONAPHTHOL SHAN DONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2013-01-03 WO 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-20140121380-A1 METHOD FOR INDUSTRIALLY PREPARING NITROGEN SUBSTITUTED AMINO-5,6,7,8-TETRAHYDRONAPHTHOL AASDHPPT, DOHH, DNPH1 CA1 1134/4885CA2 1291/4885CHRNA7 1972/4885

“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.