SCHEMBL5870197

SCHEMBL5870197

CC(C)CC(NC(CNC(=O)c1ccc(Cl)c(Cl)c1)C(=O)O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.70
SORT1 Q99523 3/20 0.70
HPGD P15428 4/20 0.67
KDM4E B2RXH2 2/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
GPR139 Q6DWJ6 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 1/20 0.47
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
NFE2L2 Q16236 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL5870560 1.00 GRN (0.70) GRNSORT1HPGDKDM4ECA1
SCHEMBL5870556 1.00 GRN (0.70) GRNSORT1HPGDKDM4ECA1
SCHEMBL5870200 0.88 GRN (0.67) GRNSORT1HPGDKDM4ECA1
SCHEMBL5870193 0.88 GRN (0.67) GRNSORT1HPGDKDM4ECA1
SCHEMBL5870210 0.88 GRN (0.67) GRNSORT1HPGDKDM4ECA1
SCHEMBL5869387 0.84 KMT2A (0.52) GRNSORT1HPGDKDM4EGPR139
SCHEMBL5869379 0.84 KMT2A (0.52) GRNSORT1HPGDKDM4EGPR139
SCHEMBL5869372 0.84 KMT2A (0.52) GRNSORT1HPGDKDM4EGPR139
SCHEMBL24283484 0.83 GRN (1.00) GRNSORT1HPGDKDM4ECA1
SCHEMBL24283486 0.83 GRN (1.00) GRNSORT1HPGDKDM4ECA1

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 GRN 3026/4885SORT1 3962/4885HPGD 156/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR GRN 1444/4885SORT1 2001/4885HPGD 152/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR GRN 1444/4885SORT1 2001/4885HPGD 152/4885

“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.