SCHEMBL14606874

SCHEMBL14606874

CC(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(C)=O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 10/20 0.62
▸ ITGB3 P05106 2/20 0.48
▸ ITGA2B P08514 2/20 0.48
▸ ABCB1 P08183 1/20 0.45
▸ PLG P00747 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CTSK P43235 2/20 0.42
▸ CTSS P25774 1/20 0.42
▸ PAM P19021 1/20 0.42
▸ CTSL P07711 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
SCHEMBL29401256 0.90 ACACB (0.61) ACACBITGB3ITGA2BABCB1LMNA
SCHEMBL29398348 0.90 ACACB (0.61) ACACBITGB3ITGA2BABCB1LMNA
SCHEMBL13252087 0.87 ABCB1 (0.58) ACACBITGB3ITGA2BABCB1CTSK
SCHEMBL12330296 0.83 ACACB (0.59) ACACBITGB3ITGA2B
SCHEMBL31632670 0.83 ACACB (0.54) ACACBITGB3ITGA2BABCB1PLG
SCHEMBL30658624 0.80 CTSL (0.55) ACACBITGB3ITGA2BCTSKCTSL
SCHEMBL12001199 0.80 ACACB (0.79) ACACB
SCHEMBL17658724 0.78 PTPN1 (0.54) ACACBITGB3ITGA2B
SCHEMBL16743914 0.78 ACACB (0.57) ACACBABCB1CTSKCTSL
SCHEMBL1259630 0.78 ACACB (0.51) ACACBABCB1PLGPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 — — 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 (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-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R ACACB 3551/4885ITGB3 3947/4885ITGA2B 3834/4885

“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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