SCHEMBL8388641

SCHEMBL8388641

CCC(=O)Cc1cccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.48
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
BCHE P06276 1/20 0.42
IAPP P10997 1/20 0.41
P2RX7 Q99572 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CXCL8 P10145 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
VNN1 O95497 1/20 0.35

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
SCHEMBL6666485 0.88 CES2 (0.48) RIPK1CES2CES1BCHEP2RX7
SCHEMBL14402655 0.86 RIPK1 (0.46) RIPK1CES2CES1BCHEIAPP
SCHEMBL8676972 0.85 ALDH1A1 (0.46) RIPK1CXCL8MEN1KMT2AVNN1
SCHEMBL28005176 0.84 IAPP (0.47) RIPK1CES2CES1IAPPGABRA1
SCHEMBL27455359 0.82 CES2 (0.50) RIPK1CES2CES1BCHEIAPP
SCHEMBL11205828 0.81 RIPK1 (0.46) RIPK1CES2CES1BCHEIAPP
SCHEMBL7723253 0.80 KMT2A (0.43) RIPK1CES2CES1IAPPMEN1
SCHEMBL6967661 0.79 CES2 (0.47) RIPK1CES2CES1BCHECXCL8
SCHEMBL723768 0.79 CXCL8 (0.56) RIPK1CES2CES1BCHECXCL8
SCHEMBL20090412 0.78 RIPK1 (0.44) RIPK1CES2CES1BCHEP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 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 (3 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 RIPK1 473/4885CES2 4012/4885CES1 2826/4885
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 RIPK1 507/4885CES2 3002/4885CES1 2002/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 RIPK1 507/4885CES2 3002/4885CES1 2002/4885

“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.