SCHEMBL19318327

SCHEMBL19318327

CC(N)C(=O)N[C@@H](C)C(=O)NC(CC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.43
▸ LTA4H P09960 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ SPHK1 Q9NYA1 7/20 0.37
▸ MMP8 P22894 1/20 0.36
▸ BACE1 P56817 4/20 0.36
▸ ECE1 P42892 1/20 0.36

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
SCHEMBL17615149 1.00 TAAR1 (0.43) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL20356318 1.00 TAAR1 (0.43) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL22001798 1.00 TAAR1 (0.43) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL19019941 0.91 MMP3 (0.42) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL17302707 0.86 LTA4H (0.44) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL12475908 0.86 TAAR1 (0.49) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL15674300 0.86 TAAR1 (0.49) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL19026404 0.86 TAAR1 (0.49) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL25854487 0.85 LTA4H (0.43) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL22001712 0.83 REN (0.40) NPC1RAB9ASMN1; SMN2SPHK1MMP8

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-10548986-B2 Eribulin-based antibody-drug conjugates and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-02-04 — — US disclosed
US-20170252458-A1 ERIBULIN-BASED ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MORPHOTEK, INC. 2017-09-07 — — 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-10548986-B2 Eribulin-based antibody-drug conjugates and methods of use FOLR1, FOLR2, TUBB1 TAAR1 2826/4885LTA4H 3728/4885NPC1 1708/4885
US-20170252458-A1 ERIBULIN-BASED ANTIBODY-DRUG CONJUGATES AND METHODS OF USE FOLR1, FOLR2, TUBB1 TAAR1 2826/4885LTA4H 3728/4885NPC1 1708/4885

“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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