SCHEMBL22491245

SCHEMBL22491245

CC(C)CC(NC(CC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)O)C(=O)OC(=O)C(CC(C)C)NC(Cc1ccc(Cc2ccccc2)cc1)C(=O)O.COc1ccc(-c2ccc(CC(NC(CC(C)C)C(=O)O)C(=O)O)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
TP53 P04637 2/20 0.48
APP P05067 1/20 0.47
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ROCK1 Q13464 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 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
SCHEMBL22491241 0.97 MAPT (0.51) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7424619 0.76 MRE11 (0.46) MAPTRAB9ANPC1APPCASP3
SCHEMBL5869382 0.76 MEN1 (0.60) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5869395 0.76 MEN1 (0.60) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5869368 0.76 MEN1 (0.60) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5869718 0.75 ALDH1A1 (0.53) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5869710 0.75 ALDH1A1 (0.53) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5869724 0.75 ALDH1A1 (0.53) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6931298 0.75 ALDH1A1 (0.53) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7424611 0.72 ELOVL1 (0.46) MAPTRAB9ANPC1APPCASP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR MAPT 1460/4885RAB9A 2722/4885NPC1 3301/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR MAPT 1460/4885RAB9A 2722/4885NPC1 3301/4885

“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.