SCHEMBL16409086

SCHEMBL16409086

CO[C@@H]([C@@H]1CCCN1)[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 12/20 0.53
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ LNPEP Q9UIQ6 1/20 0.50

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
Trifluoroacetic Acid SCHEMBL13722820 0.90 TACR1 (0.51) TACR1LMNAMAPTKDM4EMEN1
SCHEMBL903409 0.89 IL1RN (0.54) TACR1LMNAMAPTLNPEPIL1RN
Trifluoroacetic Acid SCHEMBL15284237 0.88 TACR1 (0.49) TACR1LMNAMAPTKDM4EMEN1
SCHEMBL16409056 0.82 ALDH1A1 (0.47) LMNAALDH1A1CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL13731057 0.79 ECE1 (0.50) —
Trifluoroacetic Acid SCHEMBL13732528 0.78 ITGB3 (0.43) MAPTALDH1A1CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL13731181 0.78 ITGB3 (0.43) MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL20425433 0.77 ECE1 (0.55) —
SCHEMBL20425434 0.77 ECE1 (0.55) —
SCHEMBL903556 0.77 ECE1 (0.55) —

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-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF SEATTLE GENETICS, INC. 2015-01-22 — — 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-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF FGFR2, FGFR1, FGFR3 TACR1 487/4885LMNA 4659/4885MAPT 3643/4885

“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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