SCHEMBL3451986

SCHEMBL3451986

CC1(C)OB(c2cccc(C(=O)NS(C)(=O)=O)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.43
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA9 Q16790 7/20 0.43
SCN9A Q15858 7/20 0.40
LIPG Q9Y5X9 2/20 0.40
LPL P06858 1/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
SCN3A Q9NY46 1/20 0.38
MYC P01106 1/20 0.38
SCN2B O60939 2/20 0.37
SCN1A P35498 2/20 0.37
SCN1B Q07699 2/20 0.37

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
SCHEMBL11895084 0.85 PTGS2 (0.49) P4HBCA1CA2CA9
SCHEMBL1284689 0.83 HDAC8 (0.50) P4HBCA1CA2CA9LIPG
SCHEMBL11894825 0.83 CA1 (0.59) P4HBCA1CA2CA9SCN9A
SCHEMBL7894455 0.82 ALDH1A1 (0.49) P4HBCA1CA2CA9LIPG
SCHEMBL20774470 0.80 SMPD1 (0.45) CA1CA2CA9SCN9A
SCHEMBL3323356 0.80 NPSR1 (0.49) P4HBLIPGLPLROCK1
SCHEMBL14321772 0.80 LMNA (0.43) P4HBLIPGLPL
SCHEMBL29919281 0.80 P4HB (0.41) P4HBCA1CA2CA9LIPG
SCHEMBL3322095 0.80 LIPG (0.47) P4HBCA1CA2CA9LIPG
SCHEMBL1556858 0.80 P4HB (0.41) P4HBCA1CA2CA9LIPG

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
EP-2487175-A1 PHARMACEUTICAL PRODUCT CONTAINING AROMATIC HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2012-08-15 EP disclosed
US-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-02 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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 (2 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD P4HB 711/4885CA1 3580/4885CA2 1976/4885
US-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND CYP2C18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6 P4HB 1632/4885CA1 3327/4885CA2 2053/4885

“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.