SCHEMBL6880238

SCHEMBL6880238

O=C(C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.53
▸ TACR1 P25103 3/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ ITGB2 P05107 1/20 0.47
▸ ICAM1 P05362 1/20 0.47
▸ ITGAL P20701 1/20 0.47
▸ ACE P12821 1/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ GHSR Q92847 1/20 0.45

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
SCHEMBL6877616 1.00 DPP3 (0.53) DPP3TACR1LTA4HITGB2ICAM1
SCHEMBL14903300 0.97 DPP3 (0.53) DPP3TACR1LTA4HITGB2ICAM1
SCHEMBL30051356 0.91 ITGB2 (0.56) DPP3TACR1ITGB2ICAM1ITGAL
SCHEMBL14906471 0.90 CTRB1 (0.48) TACR1ACE
SCHEMBL6880524 0.90 CTRB1 (0.48) TACR1ACE
SCHEMBL14906464 0.90 CTRB1 (0.48) TACR1ACE
SCHEMBL6876603 0.90 CTRB1 (0.48) TACR1ACE
SCHEMBL6876472 0.90 CTRB1 (0.48) TACR1ACE
SCHEMBL6878588 0.90 CTRB1 (0.48) TACR1ACE
SCHEMBL14903256 0.90 TACR1 (0.45) DPP3TACR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157204-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF LODZ UNIVERSITY OF TECHNOLOGY (PL) 2017-06-08 — — US disclosed
EP-2536732-B1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PEPTADERM SP Z O O (PL) 2016-10-19 — — EP disclosed
US-9382292-B2 Cyclic tetrapeptides and therapeutic applications thereof PEPTADERM SP. Z O.O. (PL) 2016-07-05 — — US disclosed
US-20130224232-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF LODZ UNIVERSITY OF TECHNOLOGY (PL) 2013-08-29 — — US disclosed
US-20130108655-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PEPTADERM SP. Z O.O. (PL) 2013-05-02 — — US disclosed
WO-2011103524-A2 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PEPTADERM SP.Z.O.O. (PL) 2011-08-25 — — 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-20170157204-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PNISR, APLNR, VIP DPP3 300/4885TACR1 81/4885LTA4H 3333/4885
US-20130108655-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PNISR, APLNR, VIP DPP3 300/4885TACR1 81/4885LTA4H 3333/4885
US-20130224232-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PNISR, VIP, APLNR DPP3 245/4885TACR1 72/4885LTA4H 3197/4885

“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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