SCHEMBL2490239

SCHEMBL2490239

COC(=O)N(c1ccc(C(=O)O)cc1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ SAE1 Q9UBE0 1/20 0.38
▸ UBA2 Q9UBT2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ CA1 P00915 1/20 0.37

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
SCHEMBL3202731 0.85 EGFR (0.45) RXRARXRBRXRGEGFR
SCHEMBL6938982 0.85 MAPT (0.39) GAAKMT2AMEN1LMNAOPRM1
SCHEMBL7432374 0.83 ENPP2 (0.43) GAALMNAOPRM1TDP1POLB
SCHEMBL8993305 0.81 PLA2G4B (0.43) LMNATDP1L3MBTL1TSHR
SCHEMBL3026487 0.81 THRB (0.43) GAAKMT2ACASP3SENP8SENP7
SCHEMBL2650358 0.77 TAS2R14 (0.43) ALDH1A1RXRARXRBRXRGMAPT
SCHEMBL2648376 0.76 GAA (0.46) GAAKMT2AMEN1LMNACA1
SCHEMBL7269532 0.75 OPRM1 (0.42) GAAOPRM1TDP1ALDH1A1MAPT
SCHEMBL17456836 0.73 GPR3 (0.44) GAAKMT2AMEN1LMNAGPR3
SCHEMBL3044362 0.71 GPR3 (0.46) GAAKMT2AMEN1LMNAGPR3

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
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
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-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-1763507-B1 ALPHA-AMINO ACID DERIVATES WITH ANTIINFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 2010-08-11 — — EP disclosed
US-7635788-B2 Alpha-amino acid derivatives with antiinflammatory activity ITALFARMACO SPA (IT) 2009-12-22 — — US disclosed
US-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity ITALFARMACO SPA (IT) 2008-03-27 — — US disclosed
EP-1581484-B1 HYDROXAMIC ACID DERIVATIVES HAVING ANTI-INFLAMMATORY ACTION ITALFARMACO SPA (IT) 2007-07-04 — — EP disclosed
US-7235689-B2 Hydroxamic acid derivatives having anti-inflammatory action ITALFARMACO SPA (IT) 2007-06-26 — — US disclosed
EP-1763507-A2 ALPHA-AMINO ACID DERIVATES WITH ANTIINFLAMMATORY ACTIVITY ITALFARMACO S.p.A. (IT) 2007-03-21 — — EP disclosed
US-20060100285-A1 Hydroxamic acid derivatives having anti-inflammatory action ITALFARMACO SPA (IT) 2006-05-11 — — US disclosed
WO-2006003068-A2 ALPHA-AMINO ACID DERIVATIVES WITH ANTIINFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 2006-01-12 — — 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 (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-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF ANXA4, XPNPEP1, ANXA1 GAA 461/4885KMT2A 1791/4885MEN1 1927/4885
US-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity TNF, NFKBIA, IFNG GAA 521/4885KMT2A 2165/4885MEN1 659/4885
US-20060100285-A1 Hydroxamic acid derivatives having anti-inflammatory action HDAC1, HDAC5, HDAC9 GAA 79/4885KMT2A 343/4885MEN1 2676/4885

“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.

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