SCHEMBL17898063

SCHEMBL17898063

NCCCCCNC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(N)ccc23)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.59
▸ USP2 O75604 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ CA1 P00915 15/20 0.53
▸ CA2 P00918 15/20 0.53
▸ CA12 O43570 7/20 0.53
▸ CA14 Q9ULX7 3/20 0.51
▸ CA7 P43166 2/20 0.51
▸ KDM6B O15054 1/20 0.45
▸ KDM4A O75164 1/20 0.45
▸ KDM2A Q9Y2K7 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ ALPL P05186 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL18517643 0.92 CA9 (0.70) CA9USP2L3MBTL1CA1CA2
SCHEMBL13915130 0.84 CA9 (0.73) CA9USP2L3MBTL1CA1CA2
SCHEMBL10035691 0.81 CA9 (0.65) CA9USP2L3MBTL1CA1CA2
SCHEMBL17522977 0.80 CA9 (0.64) CA9USP2L3MBTL1CA1CA2
SCHEMBL18163373 0.80 CA9 (0.68) CA9USP2L3MBTL1CA1CA2
SCHEMBL17522975 0.80 CA9 (0.73) CA9USP2L3MBTL1CA1CA2
SCHEMBL16521412 0.80 CA9 (0.68) CA9USP2L3MBTL1CA1CA2
SCHEMBL18559017 0.79 CA9 (0.60) CA9USP2L3MBTL1CA1CA2
SCHEMBL20115479 0.78 CA9 (0.68) CA9USP2L3MBTL1CA1CA2
SCHEMBL15130552 0.78 USP2 (0.62) CA9USP2L3MBTL1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210115159-A1 ENGINEERED POLYPEPTIDE CONJUGATES AND METHODS FOR MAKING THEREOF USING TRANSGLUTAMINASE PFIZER INC. (US) 2021-04-22 — — US disclosed
US-20160193356-A1 ENGINEERED POLYPEPTIDE CONJUGATES USING TRANSGLUTAMINASE RINAT NEUROSCIENCE CORP. (US) 2016-07-07 — — 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 (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-20160193356-A1 ENGINEERED POLYPEPTIDE CONJUGATES USING TRANSGLUTAMINASE TGM2, TGM3, TGM1 CA9 1591/4885USP2 2639/4885L3MBTL1 1293/4885
US-20210115159-A1 ENGINEERED POLYPEPTIDE CONJUGATES AND METHODS FOR MAKING THEREOF USING TRANSGLUTAMINASE QPCT, QPCTL, TGM3 CA9 1046/4885USP2 2674/4885L3MBTL1 1311/4885

“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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