SCHEMBL5869650

SCHEMBL5869650

CC(C)CC(NC(Cc1csc(CCC2CCCCC2)n1)C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.36
BCHE P06276 1/20 0.35
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
ADRB3 P13945 1/20 0.34
ACE2 Q9BYF1 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ACE P12821 2/20 0.33
MAPK1 P28482 1/20 0.33
ADAM17 P78536 1/20 0.33

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
SCHEMBL8248393 1.00 REN (0.36) RENBCHENMT2NMT1ADRB3
SCHEMBL5870069 0.92 ADRB3 (0.37) RENBCHENMT2NMT1ADRB3
SCHEMBL8255438 0.92 ADRB3 (0.37) RENBCHENMT2NMT1ADRB3
SCHEMBL8430592 0.89 REN (0.34) RENBCHENMT2NMT1ADRB3
SCHEMBL8430006 0.82 ADRB3 (0.36) RENBCHENMT2NMT1ADRB3
SCHEMBL8249944 0.80 NPPA (0.40) RENBCHEACE2SMN1; SMN2ACE
SCHEMBL5869416 0.80 NPPA (0.40) RENBCHEACE2SMN1; SMN2ACE
SCHEMBL7418500 0.80 BCHE (0.38) BCHESMN1; SMN2MAPK1
SCHEMBL5869917 0.78 NPPA (0.42) RENBCHEACE2ACE
SCHEMBL8255171 0.78 NPPA (0.42) RENBCHEACE2ACE

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 8 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

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 REN 7/4885BCHE 146/4885NMT2 441/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR REN 13/4885BCHE 256/4885NMT2 1079/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR REN 13/4885BCHE 256/4885NMT2 1079/4885

“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.