SCHEMBL2492370

SCHEMBL2492370

CC(C(=O)c1ccccc1)C(N)(NF)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 5/20 0.37
CES1 P23141 2/20 0.37
CES2 O00748 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 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
SCHEMBL27593308 0.78 CYP1A2 (0.47) CYP1A2CYP2D6PGRADRA2AADRA2B
SCHEMBL9850550 0.75 PGR (0.46) CYP1A2CYP2D6PGRADRA2AADRA2B
SCHEMBL2201172 0.73 CES1 (0.48) PGRADRA2AADRA2BHTR2AHRH1
Hydrochloric Acid SCHEMBL5819903 0.72 CES1 (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL15658023 0.71 PGR (0.48) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL19863258 0.70 CES1 (0.45) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL27325598 0.70 PGR (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL27988949 0.70 PGR (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL19863241 0.69 CES1 (0.44) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL3648188 0.67 CES1 (0.50) PGRADRA2AADRA2BHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919938-B2 Modified cyclopentapeptides and uses thereof Technische Universität München (DE) 2021-02-16 US disclosed
EP-3152226-B1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF UNIV MUENCHEN TECH (DE) 2019-05-29 EP disclosed
US-20180037608-A1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF Technische Universität München (DE) 2018-02-08 US disclosed
EP-3152226-A1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF Technische Universität München (DE) 2017-04-12 EP disclosed
EP-2560690-B1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2017-03-08 EP disclosed
US-9266924-B2 Cyclopentapeptide derivatives and uses thereof Technische Universität München (DE) 2016-02-23 US disclosed
WO-2015185162-A1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF Technische Universität München (DE) 2015-12-10 WO disclosed
US-20130217871-A1 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2013-08-22 US disclosed
US-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2013-05-23 US disclosed
EP-2560690-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2013-02-27 EP disclosed
WO-2011131731-A1 CYCLOPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2011-10-27 WO disclosed
WO-2011131735-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2011-10-27 WO disclosed
EP-2380596-A1 Cyclopentapeptide derivatives and uses thereof Technische Universität München (DE) 2011-10-26 EP disclosed
EP-2380597-A1 Cyclopeptide derivatives and uses thereof Technische Universität München (DE) 2011-10-26 EP 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-20180037608-A1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF ANXA4, CPA4, PTMS CYP1A2 1504/4885CYP2D6 1488/4885PGR 3660/4885
US-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF ANXA4, XPNPEP1, ANXA1 CYP1A2 2425/4885CYP2D6 1975/4885PGR 2588/4885
US-10919938-B2 Modified cyclopentapeptides and uses thereof ANXA4, CPA4, PTMS CYP1A2 1504/4885CYP2D6 1488/4885PGR 3660/4885

“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.