SCHEMBL4248705

SCHEMBL4248705

CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
ALDH1A1 P00352 5/20 0.69
SIRT6 Q8N6T7 1/20 0.64
HSD11B1 P28845 1/20 0.61
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 1/20 0.60
POLB P06746 1/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL2719030 0.86 MAPT (0.71) MAPTALDH1A1SIRT6HSD11B1LMNA
Ammonia Solution, Strong SCHEMBL27607340 0.84 MAPT (0.69) MAPTALDH1A1SIRT6HSD11B1LMNA
SCHEMBL6151230 0.83 SIRT6 (0.81) MAPTALDH1A1SIRT6LMNASMN1; SMN2
SCHEMBL15271381 0.83 SIRT6 (0.81) MAPTALDH1A1SIRT6LMNASMN1; SMN2
SCHEMBL3051184 0.82 MAPT (1.00) MAPTALDH1A1SIRT6HSD11B1LMNA
SCHEMBL22495982 0.81 SIRT6 (0.68) MAPTALDH1A1SIRT6HSD11B1LMNA
SCHEMBL374222 0.81 SIRT6 (0.68) MAPTALDH1A1SIRT6LMNASMN1; SMN2
SCHEMBL25797013 0.81 SIRT6 (0.59) MAPTALDH1A1SIRT6LMNASMN1; SMN2
SCHEMBL18463446 0.79 SIRT6 (0.60) MAPTALDH1A1SIRT6LMNASMN1; SMN2
SCHEMBL12240580 0.78 SIRT6 (0.74) MAPTALDH1A1SIRT6LMNASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339145-B2 Synthesis of cerdulatinib ALEXION PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210147392-A1 SYNTHESIS OF CERDULATINIB ALEXION PHARMACEUTICALS, INC. 2021-05-20 US disclosed
US-10851087-B2 Synthesis of cerdulatinib PORTOLA PHARMACEUTICALS, INC. (US) 2020-12-01 US disclosed
US-20190337930-A1 SYNTHESIS OF CERDULATINIB ALEXION PHARMACEUTICALS, INC. 2019-11-07 US disclosed
US-20090170851-A1 Chroman Compounds BERNSTEIN PETER 2009-07-02 US disclosed
EP-1945624-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS Astra Zeneca AB (SE) 2008-07-23 EP disclosed
US-20070185107-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-08-09 US disclosed
WO-2007053095-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 WO disclosed
WO-2007053093-A1 CHROMAN COMPOUNDS AS 5 HT1B ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 WO 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-20090170851-A1 Chroman Compounds CYP3A43, CYP2C9, CYP2C8 MAPT 3013/4885ALDH1A1 1638/4885SIRT6 3453/4885
US-20210147392-A1 SYNTHESIS OF CERDULATINIB JAK2, DCK, CERS2 MAPT 3748/4885ALDH1A1 2168/4885SIRT6 1624/4885
US-20070185107-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 MAPT 3013/4885ALDH1A1 1638/4885SIRT6 3453/4885
US-20190337930-A1 SYNTHESIS OF CERDULATINIB JAK2, DCK, CERS2 MAPT 3748/4885ALDH1A1 2168/4885SIRT6 1624/4885
US-10851087-B2 Synthesis of cerdulatinib JAK2, DCK, CERS2 MAPT 3748/4885ALDH1A1 2168/4885SIRT6 1624/4885
US-11339145-B2 Synthesis of cerdulatinib JAK2, DCK, CERS2 MAPT 3748/4885ALDH1A1 2168/4885SIRT6 1624/4885

“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.