SCHEMBL24599224

SCHEMBL24599224

COC(=O)Nc1ccc(C(C)(C)C)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ CFTR P13569 2/20 0.47
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47
▸ TUBA1C Q9BQE3 1/20 0.47
▸ TUBB6 Q9BUF5 1/20 0.47
▸ TUBB2B Q9BVA1 1/20 0.47
▸ TUBB1 Q9H4B7 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL17988490 0.80 SMN1; SMN2 (0.45) SMN1; SMN2CFTRMAPTKDM4ECYP2D6
SCHEMBL9864529 0.78 TGM2 (0.56) CFTRNR1H4TRPV1GAA
SCHEMBL11518967 0.77 ALDH1A1 (0.58) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20079586 0.76 S1PR1 (0.46) SMN1; SMN2
SCHEMBL7284429 0.76 TUBB4A (0.59) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7454764 0.75 KMT2A (0.59) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL613429 0.75 SMN1; SMN2 (0.76) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23139488 0.73 SMN1; SMN2 (0.49) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9609808 0.73 SMN1; SMN2 (0.82) SMN1; SMN2MAPTPOLBKDM4ECYP2D6
SCHEMBL2054672 0.73 SMN1; SMN2 (0.62) SMN1; SMN2MAPTMEN1KMT2AMAPK1

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-20220211855-A1 THERAPEUTIC CONJUGATES TOTUS MEDICINES INC. 2022-07-07 — — 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 (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-20220211855-A1 THERAPEUTIC CONJUGATES CD47, CD44, EPCAM SMN1; SMN2 620/4885CFTR 1431/4885TUBB4A 271/4885

“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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