SCHEMBL4932073

SCHEMBL4932073

COC(=O)CCCCCNCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.62
S1PR1 P21453 5/20 0.54
S1PR3 Q99500 3/20 0.54
S1PR5 Q9H228 1/20 0.54
CA12 O43570 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
LMNA P02545 1/20 0.54
S1PR2 O95136 1/20 0.52
S1PR4 O95977 1/20 0.52

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
SCHEMBL19438777 0.98 SIGMAR1 (0.59) SIGMAR1S1PR1S1PR3S1PR5CA12
SCHEMBL28968728 0.97 SIGMAR1 (0.64) SIGMAR1S1PR1S1PR3S1PR5CA12
Hydrochloric Acid SCHEMBL19438468 0.97 SIGMAR1 (0.58) SIGMAR1S1PR1S1PR3S1PR5CA12
SCHEMBL19438607 0.95 SIGMAR1 (0.61) SIGMAR1S1PR1S1PR3CA12CA7
SCHEMBL8829830 0.94 SIGMAR1 (0.60) SIGMAR1CA12CA7CA9CA14
SCHEMBL19438542 0.92 SIGMAR1 (0.59) SIGMAR1CA12CA7CA9CA14
SCHEMBL19438565 0.91 SIGMAR1 (0.61) SIGMAR1S1PR1S1PR3S1PR5CA12
SCHEMBL9404041 0.89 MAPT (0.65) CA12CA7CA9CA14
SCHEMBL20717644 0.89 MAPT (0.65) CA12CA7CA9CA14
SCHEMBL9219599 0.89 MAPT (0.65) CA12CA7CA9CA14

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-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD. (CN) 2019-04-25 US disclosed
WO-2017177004-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE INC. (US) 2017-10-12 WO disclosed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 US disclosed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 US disclosed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 US disclosed
EP-1685094-A4 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S BIO PTE LTD (SG) 2007-08-22 EP disclosed
EP-1685094-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*Bio Pte Ltd (SG) 2006-08-02 EP disclosed
WO-2005040101-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*BIO PTE LTD (SG) 2005-05-06 WO disclosed
WO-2005040101-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*BIO PTE LTD (SG) 2005-05-06 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-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates HDAC1, HDAC3, HDAC4 SIGMAR1 4320/4885S1PR1 3514/4885S1PR3 2817/4885
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE LPAR1, LPAR3, LPAR2 SIGMAR1 233/4885S1PR1 25/4885S1PR3 36/4885

“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.