SCHEMBL14557784

SCHEMBL14557784

COc1cc(C(=O)O)ccc1OC[C@@H]1CCCN1C(=O)CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.51
▸ TSHR P16473 1/20 0.47
▸ MCHR1 Q99705 2/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ TPMT P51580 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ PREP P48147 1/20 0.42
▸ FAP Q12884 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL14557802 0.89 DPP4 (0.47) DPP4PREPFAPDPP8DPP9
SCHEMBL14557756 0.89 DPP4 (0.47) DPP4PREPFAPDPP8DPP9
SCHEMBL14569577 0.89 DPP4 (0.54) DPP4TSHRMCHR1CA12CA1
SCHEMBL14557796 0.88 DPP4 (0.48) DPP4POLBPREPFAPDPP8
SCHEMBL14557820 0.88 DPP4 (0.46) DPP4PREPFAPDPP8DPP9
SCHEMBL14557790 0.88 DPP4 (0.50) DPP4PREPFAPDPP8DPP9
SCHEMBL14557815 0.86 DPP4 (0.45) DPP4PREPFAPDPP8DPP9
SCHEMBL14557845 0.84 ALDH1A1 (0.46) DPP4TSHRMCHR1PREPFAP
SCHEMBL14557797 0.84 DPP4 (0.43) DPP4POLBPREPFAPDPP8
SCHEMBL14557831 0.83 TSHR (0.46) DPP4TSHRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 DPP4 288/4885TSHR 3309/4885MCHR1 3892/4885

“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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