SCHEMBL18517643

SCHEMBL18517643

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

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.70
▸ CA1 P00915 15/20 0.62
▸ CA2 P00918 15/20 0.62
▸ CA12 O43570 7/20 0.62
▸ CA14 Q9ULX7 3/20 0.60
▸ CA7 P43166 2/20 0.60
▸ USP2 O75604 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MEN1 O00255 1/20 0.51
▸ ALPL P05186 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ ALPI P09923 1/20 0.51
▸ ALPG P10696 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ DNASE1L3 Q13609 1/20 0.51
▸ PRMT1 Q99873 1/20 0.51

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
SCHEMBL13915130 0.92 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL17898063 0.92 CA9 (0.59) CA9CA1CA2CA12CA14
SCHEMBL10035691 0.90 CA9 (0.65) CA9CA1CA2CA12CA14
SCHEMBL17522975 0.89 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL18163373 0.89 CA9 (0.68) CA9CA1CA2CA12CA14
SCHEMBL16521412 0.88 CA9 (0.68) CA9CA1CA2CA12CA14
SCHEMBL17522977 0.88 CA9 (0.64) CA9CA1CA2CA12CA14
SCHEMBL18559017 0.87 CA9 (0.60) CA9CA1CA2CA12CA14
SCHEMBL20115479 0.87 CA9 (0.68) CA9CA1CA2CA12CA14
SCHEMBL15130552 0.86 USP2 (0.62) CA9CA1CA2CA12USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210162058-A1 ENGINEERED POLYPEPTIDE CONJUGATES USING TRANSGLUTAMINASE RINAT NEUROSCIENCE CORP. (US) 2021-06-03 — — US disclosed
US-10941216-B2 Engineered polypeptide conjugates and methods for making thereof using transglutaminase PFIZER INC. (US) 2021-03-09 — — US disclosed
US-10842881-B2 Engineered polypeptide conjugates using transglutaminase RINAT NEUROSCIENCE CORP. (US) 2020-11-24 — — US disclosed
US-20190321482-A1 ENGINEERED POLYPEPTIDE CONJUGATES USING TRANSGLUTAMINASE RINAT NEUROSCIENCE CORP. (US) 2019-10-24 — — US disclosed
US-10195289-B2 Engineered polypeptide conjugates using transglutaminase RINAT NEUROSCIENCE CORP. (US) 2019-02-05 — — US disclosed
US-20170313787-A1 ENGINEERED POLYPEPTIDE CONJUGATES AND METHODS FOR MAKING THEREOF USING TRANSGLUTAMINASE PFIZER INC. (US) 2017-11-02 — — US disclosed
US-9676871-B2 Engineered polypeptide conjugates and methods for making thereof using transglutaminase PFIZER INC. (US) 2017-06-13 — — US disclosed
US-20170043033-A1 ANTIBODY-DRUG CONJUGATES WITH HIGH DRUG LOADING RINAT NEUROSCIENCE CORP. (US) 2017-02-16 — — 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 (7 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-10195289-B2 Engineered polypeptide conjugates using transglutaminase TGM2, TGM3, TGM1 CA9 1591/4885CA1 2150/4885CA2 3064/4885
US-10842881-B2 Engineered polypeptide conjugates using transglutaminase TGM2, TGM3, TGM1 CA9 1591/4885CA1 2150/4885CA2 3064/4885
US-20190321482-A1 ENGINEERED POLYPEPTIDE CONJUGATES USING TRANSGLUTAMINASE TGM2, TGM3, TGM1 CA9 1591/4885CA1 2150/4885CA2 3064/4885
US-20210162058-A1 ENGINEERED POLYPEPTIDE CONJUGATES USING TRANSGLUTAMINASE TGM2, TGM3, TGM1 CA9 1591/4885CA1 2150/4885CA2 3064/4885
US-20170043033-A1 ANTIBODY-DRUG CONJUGATES WITH HIGH DRUG LOADING GATD3, GLUL, SLC7A11 CA9 1689/4885CA1 2104/4885CA2 3235/4885
US-20170313787-A1 ENGINEERED POLYPEPTIDE CONJUGATES AND METHODS FOR MAKING THEREOF USING TRANSGLUTAMINASE QPCT, QPCTL, TGM3 CA9 1046/4885CA1 1547/4885CA2 2460/4885
US-10941216-B2 Engineered polypeptide conjugates and methods for making thereof using transglutaminase QPCT, QPCTL, TGM3 CA9 1046/4885CA1 1547/4885CA2 2460/4885

“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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