SCHEMBL248368

SCHEMBL248368

O=C(O)C1=C(C(=O)Nc2ccc(Oc3ccccc3)cc2)CCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.71
PGR P06401 1/20 0.60
NR4A2 P43354 1/20 0.58
PNLIP P16233 1/20 0.55
PARP1 P09874 1/20 0.53
PARP15 Q460N3 1/20 0.53
PARP10 Q53GL7 1/20 0.53
EPHX1 P07099 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
NR1H4 Q96RI1 2/20 0.51
GLA P06280 1/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL3926504 0.96 DHODH (0.79) DHODHPGRNR4A2PNLIPPARP1
SCHEMBL3914845 0.89 PARP1 (0.61) DHODHNR4A2PARP1PARP15PARP10
SCHEMBL3915672 0.89 DHODH (0.60) DHODHPGRNR4A2PNLIPPARP1
SCHEMBL3915670 0.86 DHODH (0.81) DHODHNR4A2PARP1PARP15PARP10
SCHEMBL14066177 0.86 DHODH (0.56) DHODHPGRNR4A2PNLIPPARP1
SCHEMBL27588709 0.86 DHODH (0.56) DHODHPGRNR4A2PNLIPPARP1
SCHEMBL3915660 0.84 DHODH (0.58) DHODHNR4A2NR1H4
SCHEMBL3924079 0.84 DHODH (0.72) DHODHNR4A2PNLIP
SCHEMBL14066193 0.84 PGR (0.59) DHODHPGRPNLIPEPHX1SMN1; SMN2
SCHEMBL3915266 0.83 DHODH (0.77) DHODHNR4A2PARP1PARP15PARP10

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653138-B2 Calcium salts of compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC MG (DE) 2014-02-18 US claimed
US-10646478-B2 Methods for treatment of melanoma CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-05-12 US disclosed
US-20190117635-A1 METHODS FOR TREATMENT OF MELANOMA CHILDREN'S MEDICAL CENTER CORPORATION (US) 2019-04-25 US disclosed
EP-2966058-B1 NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2017-10-04 EP disclosed
EP-2966058-B1 NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2017-10-04 EP disclosed
EP-2966058-A1 NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2016-01-13 EP disclosed
US-8653138-B2 Calcium salts of compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC MG (DE) 2014-02-18 US disclosed
US-8653138-B2 Calcium salts of compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC MG (DE) 2014-02-18 US disclosed
US-8653138-B2 Calcium salts of compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC MG (DE) 2014-02-18 US disclosed
EP-2588447-A1 NOVEL SALTS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2013-05-08 EP disclosed
US-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 US disclosed
US-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 US disclosed
US-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 US disclosed
US-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 US disclosed
US-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 US disclosed
US-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 US disclosed
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2006-09-07 US disclosed
EP-1392642-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-03-03 EP disclosed
US-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2003-10-30 US disclosed
WO-2003006425-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2003-01-23 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-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, GCDH DHODH 1/4885PGR 3332/4885NR4A2 800/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA DHODH 1/4885PGR 1578/4885NR4A2 587/4885
US-10646478-B2 Methods for treatment of melanoma DHODH, ALDH1A2, DLD DHODH 1/4885PGR 4867/4885NR4A2 2334/4885
US-20190117635-A1 METHODS FOR TREATMENT OF MELANOMA DHODH, ALDH1A2, DLD DHODH 1/4885PGR 4867/4885NR4A2 2334/4885

“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.