SCHEMBL13489648

SCHEMBL13489648

C[C@H]1CN(C(=O)OCc2ccccc2)C[C@H](C)N1S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.53
▸ ACHE P22303 1/20 0.50
▸ TGM2 P21980 4/20 0.49
▸ F13A1 P00488 3/20 0.49
▸ TGM1 P22735 3/20 0.49
▸ MMP1 P03956 2/20 0.47
▸ MMP3 P08254 2/20 0.47
▸ MMP7 P09237 2/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ PDK1 Q15118 1/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK3 Q15120 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ GRIN2B Q13224 1/20 0.46
▸ HTR2C P28335 1/20 0.45
▸ MMP2 P08253 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL752571 0.84 ACHE (0.53) HSD11B1ACHESMN1; SMN2
SCHEMBL12061638 0.81 TGM2 (0.63) TGM2F13A1TGM1SMN1; SMN2TDP1
SCHEMBL3219797 0.80 ACHE (0.63) HSD11B1ACHE
SCHEMBL6902860 0.80 TGM2 (0.78) TGM2F13A1TGM1
SCHEMBL1872562 0.80 TGM2 (0.78) TGM2F13A1TGM1
SCHEMBL754186 0.76 ACHE (0.58) HSD11B1ACHE
SCHEMBL16601351 0.75 GRIN2B (0.62) GRIN2BNPC1RAB9ASMN1; SMN2
SCHEMBL16995616 0.75 GRIN2B (0.62) GRIN2BNPC1RAB9ASMN1; SMN2
SCHEMBL3662621 0.75 HTR2C (0.58) TGM2F13A1TGM1PDK1PDK2
SCHEMBL31393228 0.75 HTR2C (0.58) TGM2F13A1TGM1PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 — — US disclosed
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 — — US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 — — US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 — — US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 — — US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 — — US disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 — — 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 (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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 HSD11B1 1/4885ACHE 4395/4885TGM2 2164/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885ACHE 3693/4885TGM2 2399/4885

“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.

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