SCHEMBL5869680

SCHEMBL5869680

CC(C)CC(NC(Cc1csc(-c2ccncc2)n1)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.42
SHMT1 P34896 3/20 0.42
SHMT2 P34897 2/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACE2 Q9BYF1 4/20 0.41
ACE P12821 3/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL8248710 1.00 CTSK (0.43) CTSKKDM4EHSD17B10HPGDSHMT1
SCHEMBL8249164 0.93 KDM4E (0.50) CTSKKDM4EHSD17B10HPGDSHMT1
SCHEMBL1690993 0.93 KDM4E (0.50) CTSKKDM4EHSD17B10HPGDSHMT1
SCHEMBL5869659 0.90 ALDH1A1 (0.46) CTSKKDM4ESHMT1SHMT2LMNA
SCHEMBL5869664 0.90 ALDH1A1 (0.46) CTSKKDM4ESHMT1SHMT2LMNA
SCHEMBL6925810 0.90 ALDH1A1 (0.46) CTSKKDM4ESHMT1SHMT2LMNA
SCHEMBL5869648 0.90 ALDH1A1 (0.46) CTSKKDM4ESHMT1SHMT2LMNA
SCHEMBL5869777 0.85 SHMT1 (0.41) CTSKKDM4ESHMT1SHMT2LMNA
SCHEMBL5869959 0.84 ACE2 (0.48) CTSKSHMT1SHMT2ACE2ACE
SCHEMBL5869952 0.84 ACE2 (0.48) CTSKSHMT1SHMT2ACE2ACE

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 7 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
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 CTSK 541/4885KDM4E 2662/4885HSD17B10 592/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR CTSK 166/4885KDM4E 3071/4885HSD17B10 621/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR CTSK 166/4885KDM4E 3071/4885HSD17B10 621/4885

“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.