SCHEMBL1430722

SCHEMBL1430722

C=CCCCCCOCC[C@@H](N)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
PLA2G2C Q5R387 1/20 0.35
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL15876540 0.84 PLA2G2C (0.38) TSHRLPAR3LPAR2PLA2G2CADORA1
SCHEMBL11327845 0.78 TSHR (0.41) TSHRLPAR3LPAR2PLA2G2CADORA1
SCHEMBL22268766 0.78 TSHR (0.41) TSHRLPAR3LPAR2PLA2G2CADORA1
SCHEMBL731551 0.77 TSHR (0.40) TSHRALDH1A1
SCHEMBL2026655 0.77 LPAR3 (0.52) TSHRLPAR3LPAR2PLA2G2CADORA1
SCHEMBL2028447 0.77 LPAR3 (0.52) TSHRLPAR3LPAR2PLA2G2CADORA1
SCHEMBL2027305 0.77 LPAR3 (0.52) TSHRLPAR3LPAR2PLA2G2CADORA1
SCHEMBL2026917 0.77 LPAR3 (0.52) TSHRLPAR3LPAR2PLA2G2CADORA1
SCHEMBL891891 0.77 LPAR3 (0.52) TSHRLPAR3LPAR2PLA2G2CADORA1
SCHEMBL2022487 0.77 LPAR3 (0.52) TSHRLPAR3LPAR2PLA2G2CADORA1

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
US-9688645-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2017-06-27 US disclosed
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-09-01 US disclosed
US-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 US disclosed
US-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-01-28 US disclosed
EP-2300462-B1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI SA (FR) 2014-05-21 EP disclosed
US-8722655-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of tafia SANOFI (FR) 2014-05-13 US disclosed
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-02-06 US disclosed
US-8580777-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-11-12 US disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
EP-2300462-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA Sanofi-aventis (FR) 2011-03-30 EP disclosed
WO-2009146802-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2009-12-10 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 (4 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-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 TSHR 521/4885LPAR3 4801/4885LPAR2 4549/4885
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 TSHR 521/4885LPAR3 4801/4885LPAR2 4549/4885
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 TSHR 521/4885LPAR3 4801/4885LPAR2 4549/4885
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 TSHR 521/4885LPAR3 4801/4885LPAR2 4549/4885

“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.