SCHEMBL5869975

SCHEMBL5869975

CC(C)CC(NC(Cc1csc(-c2ccc3c(c2)CCO3)n1)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CLK1 P49759 2/20 0.54
DNM1L O00429 2/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
CHEK1 O14757 11/20 0.44
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
SHMT1 P34896 1/20 0.41
SHMT2 P34897 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
SCHEMBL5870572 1.00 PLA2G10 (0.55) PLA2G10NPC1RAB9ACLK1DNM1L
SCHEMBL7422935 0.82 PLA2G10 (0.53) PLA2G10NPC1RAB9ACLK1DNM1L
SCHEMBL1690993 0.81 KDM4E (0.50) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8249164 0.81 KDM4E (0.50) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6925810 0.80 ALDH1A1 (0.46) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5869664 0.80 ALDH1A1 (0.46) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5869659 0.80 ALDH1A1 (0.46) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5869648 0.80 ALDH1A1 (0.46) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8248710 0.79 CTSK (0.43) NPC1RAB9AKDM4EALDH1A1SHMT1
SCHEMBL5869680 0.79 CTSK (0.43) NPC1RAB9AKDM4EALDH1A1SHMT1

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 PLA2G10 997/4885NPC1 2323/4885RAB9A 2897/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR PLA2G10 834/4885NPC1 3301/4885RAB9A 2722/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR PLA2G10 834/4885NPC1 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.