SCHEMBL15877802

SCHEMBL15877802

COC(=O)[C@H]1CC[C@H]2COCC(=O)N2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
BTK Q06187 1/20 0.39
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL15877800 1.00 BRD4 (0.42) BRD4BTKKMT2ANPC1RAB9A
SCHEMBL15894484 1.00 BRD4 (0.42) BRD4BTKKMT2ANPC1RAB9A
SCHEMBL15878525 0.82 POLB (0.47) BTKKMT2APOLBGAANPSR1
SCHEMBL15894485 0.82 POLB (0.47) BTKKMT2APOLBGAANPSR1
SCHEMBL15878527 0.82 POLB (0.47) BTKKMT2APOLBGAANPSR1
SCHEMBL15878526 0.82 POLB (0.47) BTKKMT2APOLBGAANPSR1
SCHEMBL2944277 0.79 BRD4 (0.41) BRD4BTKKMT2ANPC1RAB9A
SCHEMBL2944275 0.79 BRD4 (0.41) BRD4BTKKMT2ANPC1RAB9A
SCHEMBL15877933 0.79 KMT2A (0.51) BRD4BTKKMT2ANPC1RAB9A
SCHEMBL15894489 0.79 KMT2A (0.51) BRD4BTKKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240543-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP disclosed
EP-2948458-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-05-01 EP disclosed
US-20180118766-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-03 US disclosed
EP-3240543-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
US-9481682-B2 Substituted benzamides and substituted pyridinecarboxamides as Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
WO-2016109216-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
US-20150353570-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2948458-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-02 EP disclosed
WO-2014114185-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014113932-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 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 (3 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-20180118766-A1 BTK INHIBITORS BTK, SYK, LYN BRD4 490/4885BTK 1/4885KMT2A 1263/4885
US-20140206681-A1 BTK INHIBITORS BTK, SYK, LYN BRD4 429/4885BTK 1/4885KMT2A 1175/4885
US-20150353570-A1 BTK INHIBITORS BTK, SYK, LYN BRD4 429/4885BTK 1/4885KMT2A 1175/4885

“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.