SCHEMBL20381129

SCHEMBL20381129

CC(CO)(CO)NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ PLD2 O14939 1/20 0.43
▸ PLD1 Q13393 1/20 0.43
▸ PYGL P06737 5/20 0.43
▸ NHERF1 O14745 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL13334344 0.86 TP53 (0.47) TP53POLBPLD2PLD1PYGL
SCHEMBL14845691 0.85 TP53 (0.56) TP53POLBPYGLKDM4ENPC1
SCHEMBL12826975 0.82 ALOX15 (0.52) TP53POLBPLD2PLD1PYGL
SCHEMBL20381087 0.82 KDM4E (0.53) PYGLKDM4ENPC1RAB9AALDH1A1
SCHEMBL19085805 0.79 EGFR (0.44) TP53POLBPLD2PLD1PYGL
SCHEMBL12846299 0.78 ALOX15 (0.56) TP53POLBPLD2PLD1PYGL
SCHEMBL13334417 0.77 TP53 (0.71) TP53POLBPLD2PLD1NHERF1
SCHEMBL3635965 0.77 PIN1 (0.63) TP53POLBKDM4ENPC1RAB9A
SCHEMBL29709913 0.77 PIN1 (0.63) TP53POLBKDM4ENPC1RAB9A
SCHEMBL13334403 0.76 KDM4E (0.67) NHERF1KDM4ENPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 — — US disclosed
US-10987348-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-27 — — US disclosed
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-14 — — US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 — — 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 (4 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-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TP53 3254/4885POLB 2183/4885PLD2 4174/4885
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TP53 3254/4885POLB 2183/4885PLD2 4174/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TP53 3254/4885POLB 2183/4885PLD2 4174/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TP53 3254/4885POLB 2183/4885PLD2 4174/4885

“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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