SCHEMBL7573395

SCHEMBL7573395

CC1(C(=O)O)SCCCS1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.38
RXRA P19793 1/20 0.33
MAPK1 P28482 2/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
STAT6 P42226 1/20 0.30
HIF1A Q16665 1/20 0.30
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2825378 0.72
SCHEMBL4284616 0.70
SCHEMBL16932577 0.69
SCHEMBL5795070 0.69
SCHEMBL9845877 0.68
SCHEMBL2361920 0.67 FFAR3 (0.37) FFAR3CYP2C19SMN1; SMN2
SCHEMBL1194886 0.65
SCHEMBL10429602 0.63 FFAR3 (0.32) FFAR3CYP2C19
SCHEMBL31135070 0.58 FFAR3 (0.38) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL21950905 0.57 FFAR3 (0.50) FFAR3MAPK1TP53NFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746551-B1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS UNIV OHIO STATE RES FOUND (US) 2002-09-04 EP claimed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 US disclosed
EP-2886530-A1 ORALLY ADMINISTRABLE VIRIDIOFUNGIN DERIVATIVE HAVING ANTI-HCV ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 2015-06-24 EP disclosed
EP-0054971-B1 1-CARBA-6-(1-HYDROXYETHYL)-2-CARBONYL-PENEM-3-CARBOXYLIC ACID, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME MERCK & CO. INC. (US) 1984-07-11 EP disclosed
EP-0054971-A1 1-Carba-6-(1-hydroxyethyl)-2-carbonyl-penem-3-carboxylic acid, process for preparing and pharmaceutical compositions comprising the same MERCK & CO. INC. (US) 1982-06-30 EP disclosed
US-4321197-A 1-Carba-6-(1-hydroxyethyl)-2-carbonyl-penem-3-carboxylic acid and preparation thereof MERCK & CO., INC. (US) 1982-03-23 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 (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-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY ZC3HAV1, SLC10A1, CYP51A1 FFAR3 1802/4885RXRA 4730/4885MAPK1 1179/4885
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE PDE3A, PDE2A, PDE5A FFAR3 3805/4885RXRA 4666/4885MAPK1 2274/4885

“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.