Sugi Predict

Sugi Predict / Compounds / SCHEMBL21783082

SCHEMBL21783082

SCHEMBL21783082

C[C@@]1(c2cccc(Cl)c2)Cc2cc(C(=O)O)cnc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HCAR2 Q8TDS4 2/20 0.38
▸ HCAR3 P49019 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ VNN1 O95497 2/20 0.35
▸ SLC22A12 Q96S37 2/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CHRNA1 P02708 2/20 0.33
▸ CHRNG P07510 2/20 0.33

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
SCHEMBL21782999 1.00 CCR2 (0.40) CCR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL21783076 0.88 MGAM (0.39) HCAR3VNN1MAP4K4GSK3AGSK3B
SCHEMBL21782982 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL21783023 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL21783067 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL21782984 0.87 HDAC3 (0.40) CCR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL21783027 0.87 HDAC3 (0.40) CCR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL21783072 0.87 HCAR2 (0.37) CCR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL21783052 0.87 HCAR2 (0.37) CCR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL21772830 0.80 HCAR2 (0.37) CCR2HDAC3HDAC1HDAC2HDAC6

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-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-04 — — US disclosed
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-15 — — US disclosed
WO-2020043658-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 — — WO disclosed
US-20200069663-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-03-05 — — 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-20200069663-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH CCR2 3899/4885HDAC3 3341/4885HDAC1 1745/4885
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH CCR2 3899/4885HDAC3 3341/4885HDAC1 1745/4885
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH CCR2 3899/4885HDAC3 3341/4885HDAC1 1745/4885

“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.