SCHEMBL23787348

SCHEMBL23787348

CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.53
▸ QPCTL Q9NXS2 1/20 0.53
▸ EPHX2 P34913 1/20 0.48
▸ SLC6A5 Q9Y345 1/20 0.47
▸ F2 P00734 3/20 0.43
▸ PRSS1 P07477 3/20 0.43
▸ PRSS2 P07478 3/20 0.43
▸ PRSS3 P35030 3/20 0.43
▸ ITGB2 P05107 2/20 0.42
▸ ICAM1 P05362 2/20 0.42
▸ ITGAL P20701 2/20 0.42
▸ SLC15A2 Q16348 1/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40

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
SCHEMBL29615190 0.88 EPHX2 (0.60) QPCTQPCTLEPHX2SLC6A5F2
SCHEMBL27675779 0.88 EPHX2 (0.60) QPCTQPCTLEPHX2SLC6A5F2
SCHEMBL3057446 0.88 EPHX2 (0.60) QPCTQPCTLEPHX2SLC6A5F2
SCHEMBL23787478 0.86 QPCT (0.53) QPCTQPCTLEPHX2SLC6A5F2
SCHEMBL21089953 0.84 CYP3A4 (0.52) EPHX2SLC6A5ITGB2ICAM1ITGAL
SCHEMBL18381375 0.81 EPHX2 (0.67) QPCTQPCTLEPHX2SLC6A5ITGB2
SCHEMBL2276192 0.81 QPCT (0.56) QPCTQPCTLEPHX2SLC6A5CYP3A4
SCHEMBL28459868 0.81 SLC15A2 (0.53) QPCTQPCTLEPHX2SLC6A5F2
SCHEMBL16819872 0.81 QPCT (0.47) QPCTQPCTLEPHX2SLC6A5F2
SCHEMBL15426866 0.81 QPCT (0.47) QPCTQPCTLEPHX2SLC6A5F2

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-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2021-09-09 — — 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-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS F5, OR10J3, SHBG QPCT 3568/4885QPCTL 3213/4885EPHX2 1285/4885

“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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