SCHEMBL5869387

SCHEMBL5869387

CC(C)CC(NC(CNC(=O)c1cccc(Cl)c1)C(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GRN P28799 3/20 0.52
SORT1 Q99523 3/20 0.52
MAPK1 P28482 1/20 0.52
GPR139 Q6DWJ6 2/20 0.50
MEN1 O00255 1/20 0.50
ATM Q13315 1/20 0.50
HPGD P15428 2/20 0.46
ITGAV P06756 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL5869379 1.00 KMT2A (0.52) KMT2AGAAHSD17B10GRNSORT1
SCHEMBL5869372 1.00 KMT2A (0.52) KMT2AGAAHSD17B10GRNSORT1
SCHEMBL5869318 0.88 GRN (0.50) KMT2AGRNSORT1MAPK1GPR139
SCHEMBL5869304 0.88 GRN (0.50) KMT2AGRNSORT1MAPK1GPR139
SCHEMBL5869310 0.88 GRN (0.50) KMT2AGRNSORT1MAPK1GPR139
SCHEMBL5870560 0.84 GRN (0.70) KMT2AGAAHSD17B10GRNSORT1
SCHEMBL5870197 0.84 GRN (0.70) KMT2AGAAHSD17B10GRNSORT1
SCHEMBL5870556 0.84 GRN (0.70) KMT2AGAAHSD17B10GRNSORT1
SCHEMBL5869864 0.83 CTSL (0.53) KMT2AGAAHSD17B10GPR139HPGD
SCHEMBL5869846 0.83 CTSL (0.53) KMT2AGAAHSD17B10GPR139HPGD

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 KMT2A 1880/4885GAA 108/4885HSD17B10 592/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR KMT2A 940/4885GAA 53/4885HSD17B10 621/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR KMT2A 940/4885GAA 53/4885HSD17B10 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.