SCHEMBL5870034

SCHEMBL5870034

CC(C)CC(NC(Cc1ccccn1)C(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.46
MME P08473 2/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PGGT1B P53609 1/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC1 Q13547 2/20 0.44
FDPS P14324 1/20 0.43

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
SCHEMBL8254618 1.00 PTPRA (0.54) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL13957292 0.87 PTPRA (0.58) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL13972050 0.83 PTPRA (0.54) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL10065593 0.81 PTPRA (0.61) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL3472396 0.81 PTPRA (0.61) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL29831780 0.81 PTPRA (0.61) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL13972048 0.81 PTPRA (0.61) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL5869540 0.80 MME (0.54) MME
SCHEMBL5869538 0.80 MME (0.54) MME
SCHEMBL5869548 0.80 MME (0.54) MME

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
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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 PTPRA 1592/4885SMN1; SMN2 3028/4885CYP1A2 827/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR PTPRA 1646/4885SMN1; SMN2 3844/4885CYP1A2 187/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR PTPRA 1646/4885SMN1; SMN2 3844/4885CYP1A2 187/4885

“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.