SCHEMBL5869664

SCHEMBL5869664

Cc1ccc(-c2nc(CC(NC(CC(C)C)C(=O)O)C(=O)O)cs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
CTSK P43235 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SHMT1 P34896 2/20 0.41
SHMT2 P34897 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5869659 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL5869648 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL6925810 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL8249164 0.92 KDM4E (0.50) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL1690993 0.92 KDM4E (0.50) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL5869777 0.91 SHMT1 (0.41) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL5869680 0.90 CTSK (0.43) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL8248710 0.90 CTSK (0.43) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL6834297 0.89 SHMT1 (0.43) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL5869952 0.85 ACE2 (0.48) CTSKSHMT1SHMT2

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-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US 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
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
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 ALDH1A1 1305/4885SMN1; SMN2 3028/4885LMNA 3320/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ALDH1A1 375/4885SMN1; SMN2 3844/4885LMNA 3282/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ALDH1A1 375/4885SMN1; SMN2 3844/4885LMNA 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.