SCHEMBL5869961

SCHEMBL5869961

Cc1cc(C)cc(NC(=O)c2ccc(CC(NC(CC(C)C)C(=O)O)C(=O)O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP9 P14780 1/20 0.47
FOLH1 Q04609 3/20 0.45
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
MMP2 P08253 1/20 0.41
GAA P10253 1/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
TAS1R3 Q7RTX0 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
SCHEMBL8255226 1.00 LMNA (0.52) LMNANPC1RAB9ASMN1; SMN2MMP9
SCHEMBL5869935 0.87 GRN (0.52) LMNAMMP9FOLH1MAPTGRN
SCHEMBL8249603 0.87 GRN (0.52) LMNAMMP9FOLH1MAPTGRN
SCHEMBL5870587 0.87 MMP9 (0.52) NPC1RAB9AMMP9FOLH1MEN1
SCHEMBL8255930 0.87 MMP9 (0.52) NPC1RAB9AMMP9FOLH1MEN1
SCHEMBL5869763 0.81 FOLH1 (0.48) NPC1RAB9AMMP9FOLH1MEN1
SCHEMBL5869867 0.81 FOLH1 (0.48) NPC1RAB9AMMP9FOLH1MEN1
SCHEMBL5869771 0.81 FOLH1 (0.48) NPC1RAB9AMMP9FOLH1MEN1
SCHEMBL5870545 0.80 FOLH1 (0.54) LMNAFOLH1GRNSORT1CA2
SCHEMBL8255234 0.80 FOLH1 (0.54) LMNAFOLH1GRNSORT1CA2

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 LMNA 3320/4885NPC1 2323/4885RAB9A 2897/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR LMNA 3282/4885NPC1 3301/4885RAB9A 2722/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR LMNA 3282/4885NPC1 3301/4885RAB9A 2722/4885

“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.