SCHEMBL5869868

SCHEMBL5869868

CC(C)CC(NC(Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 12/20 0.60
SHMT2 P34897 8/20 0.60
ACE2 Q9BYF1 4/20 0.42
ACE P12821 3/20 0.42
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
IL1R1 P14778 1/20 0.42
PRKCA P17252 1/20 0.42
TNFRSF1A P19438 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 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
SCHEMBL5870570 1.00 SHMT1 (0.60) SHMT1SHMT2ACE2ACEPRKD3
SCHEMBL5870566 1.00 SHMT1 (0.60) SHMT1SHMT2ACE2ACEPRKD3
SCHEMBL21560223 0.85 SHMT1 (0.79) SHMT1SHMT2
SCHEMBL21560079 0.85 SHMT1 (0.79) SHMT1SHMT2
SCHEMBL5869503 0.85 ACE2 (0.48) SHMT1SHMT2ACE2ACETLR7
SCHEMBL6927461 0.85 ACE2 (0.48) SHMT1SHMT2ACE2ACETLR7
SCHEMBL5869959 0.85 ACE2 (0.48) SHMT1SHMT2ACE2ACETLR7
SCHEMBL5869952 0.85 ACE2 (0.48) SHMT1SHMT2ACE2ACETLR7
SCHEMBL6834015 0.84 SHMT1 (0.49) SHMT1SHMT2MAPT
SCHEMBL22491272 0.84 SHMT1 (0.48) SHMT1SHMT2PRKD3PRKCGPRKCB

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 4 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-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
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 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 (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 SHMT1 2730/4885SHMT2 2248/4885ACE2 2/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR SHMT1 2730/4885SHMT2 2248/4885ACE2 2/4885

“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.