SCHEMBL5870532

SCHEMBL5870532

CNCCC(NC(CC(C)C)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
FOLH1 Q04609 7/20 0.45
KISS1R Q969F8 1/20 0.43
MAPT P10636 1/20 0.43
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
LAP3 P28838 3/20 0.39

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
SCHEMBL16326303 0.82 ALDH1A1 (0.37) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL8255402 0.81 ALDH1A1 (0.52) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL5869753 0.81 ALDH1A1 (0.52) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL8248644 0.78 PLA2G2A (0.51) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL5869797 0.78 PLA2G2A (0.51) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL5869722 0.76 FOLH1 (0.58) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL8248682 0.76 FOLH1 (0.58) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL14002511 0.76 FOLH1 (0.35) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL29187495 0.76 FOLH1 (0.35) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL16750034 0.76 ALDH1A1 (0.61) ALDH1A1MEN1LMNAKMT2AFOLH1

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 ALDH1A1 1305/4885MEN1 3996/4885LMNA 3320/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ALDH1A1 375/4885MEN1 3522/4885LMNA 3282/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ALDH1A1 375/4885MEN1 3522/4885LMNA 3282/4885

“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.