SCHEMBL19201796

SCHEMBL19201796

CSC(C)Nc1ccc(COC(=O)C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 1/20 0.36
NPC1 O15118 4/20 0.35
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
POLB P06746 1/20 0.35
NPR3 P17342 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL1753750 0.85 ROCK2 (0.43) ROCK2KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL23318499 0.83 ROCK2 (0.42) ROCK2KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL26549546 0.80 ROCK2 (0.40) ROCK2KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL1753582 0.78 MEN1 (0.54) ROCK2KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL19901428 0.78 MEN1 (0.54) ROCK2KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL27305897 0.78 ELANE (0.52) KMT2AMEN1L3MBTL1SMN1; SMN2ELANE
SCHEMBL18792766 0.77 ELANE (0.46) ROCK2KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL23051176 0.77 ROCK2 (0.42) ROCK2KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL24541057 0.76 MEN1 (0.43) ROCK2KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL23420957 0.76 KMT2A (0.43) ROCK2KMT2AMEN1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2021-07-06 US disclosed
US-10653794-B2 Capped and uncapped antibody cysteines, and their use in antibody-drug conjugation PFIZER INC. (US) 2020-05-19 US disclosed
US-20190030183-A1 CAPPED AND UNCAPPED ANTIBODY CYSTEINES, AND THEIR USE IN ANTIBODY-DRUG CONJUGATION PFIZER INC. (US) 2019-01-31 US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 US disclosed
US-20170218085-A1 SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY NOVARTIS AG (CH) 2017-08-03 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 (6 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ROCK2 4010/4885KMT2A 1026/4885MEN1 1237/4885
US-10653794-B2 Capped and uncapped antibody cysteines, and their use in antibody-drug conjugation GCLC, LANCL1, CTH ROCK2 2449/4885KMT2A 2033/4885MEN1 4028/4885
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ROCK2 4010/4885KMT2A 1026/4885MEN1 1237/4885
US-11052155-B2 Conjugates of CC-1065 analogs and bifunctional linkers PCNA, DCLRE1A, CDC5L ROCK2 3857/4885KMT2A 1003/4885MEN1 1247/4885
US-20190030183-A1 CAPPED AND UNCAPPED ANTIBODY CYSTEINES, AND THEIR USE IN ANTIBODY-DRUG CONJUGATION GCLC, LANCL1, CTH ROCK2 2449/4885KMT2A 2033/4885MEN1 4028/4885
US-20170218085-A1 SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY PTMS, DNPEP, PSAT1 ROCK2 4465/4885KMT2A 1050/4885MEN1 2206/4885

“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.