SCHEMBL5869520

SCHEMBL5869520

O=C(O)C(Cc1ccccc1)NC(Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 1/20 0.61
▸ ITGB2 P05107 3/20 0.57
▸ ICAM1 P05362 3/20 0.57
▸ ITGAL P20701 3/20 0.57
▸ CPA1 P15085 1/20 0.55
▸ REN P00797 2/20 0.53
▸ CYP3A4 P08684 1/20 0.52
▸ SLC7A5 Q01650 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ MME P08473 2/20 0.52
▸ ECE1 P42892 1/20 0.52
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL8250332 1.00 AGTR2 (0.61) AGTR2ITGB2ICAM1ITGALCPA1
SCHEMBL5907039 0.85 AGTR2 (0.57) AGTR2ITGB2ICAM1ITGALCPA1
SCHEMBL3599440 0.85 AGTR2 (0.57) AGTR2ITGB2ICAM1ITGALCPA1
SCHEMBL9829801 0.83 AGTR2 (0.60) AGTR2ITGB2ICAM1ITGALHIF1A
SCHEMBL1667212 0.83 ALDH1A1 (0.54) ITGB2ICAM1ITGALCYP3A4MEN1
SCHEMBL27826956 0.82 AGTR2 (0.60) AGTR2ITGB2ICAM1ITGALREN
SCHEMBL30184773 0.82 AGTR2 (0.60) AGTR2ITGB2ICAM1ITGALREN
SCHEMBL9554563 0.82 GGT1 (0.55) AGTR2ITGB2ICAM1ITGALCPA1
SCHEMBL29971719 0.82 REN (0.60) AGTR2ITGB2ICAM1ITGALREN
SCHEMBL28133942 0.82 REN (0.60) AGTR2ITGB2ICAM1ITGALREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 — — US claimed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 — — US claimed
CN-1377259-A ACE-2 inhibiting compounds and methods of use thereof MILLENNIUM PHARM INC (US) 2002-10-30 — — CN claimed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 — — WO claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 — — WO claimed
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2022-05-24 — — US disclosed
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2020-11-19 — — US disclosed
EP-3717077-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2020-10-07 — — EP disclosed
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 — — US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 — — US disclosed
CN-1377259-A ACE-2 inhibiting compounds and methods of use thereof MILLENNIUM PHARM INC (US) 2002-10-30 — — CN 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 AGTR2 3/4885ITGB2 3557/4885ICAM1 3526/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR AGTR2 5/4885ITGB2 2969/4885ICAM1 1527/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR AGTR2 5/4885ITGB2 2969/4885ICAM1 1527/4885

“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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