SCHEMBL21783052

SCHEMBL21783052

CC1(c2ccc(Cl)cc2)Cc2cc(C(=O)O)cnc2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
KDM4C Q9H3R0 1/20 0.35
SRD5A2 P31213 2/20 0.35
SRD5A1 P18405 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
CCR2 P41597 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
MAP4K4 O95819 1/20 0.33
HSD11B1 P28845 2/20 0.33
NR1I2 O75469 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NNMT P40261 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
SCHEMBL21783072 1.00 HCAR2 (0.37) HCAR2KDM4CSRD5A2SRD5A1ALOX15
SCHEMBL21783076 0.89 MGAM (0.39) MAP4K4NNMTHCAR3
SCHEMBL21772879 0.88 HCAR2 (0.37) HCAR2KDM4CALOX15CCR2HDAC3
SCHEMBL21772830 0.88 HCAR2 (0.37) HCAR2KDM4CALOX15CCR2HDAC3
SCHEMBL21783082 0.87 CCR2 (0.40) HCAR2CCR2HDAC3HDAC1HDAC2
SCHEMBL21782999 0.87 CCR2 (0.40) HCAR2CCR2HDAC3HDAC1HDAC2
SCHEMBL21782983 0.87 MAPT (0.41) ALOX15HDAC3HDAC1HDAC2HDAC6
SCHEMBL21783056 0.87 MAPT (0.41) ALOX15HDAC3HDAC1HDAC2HDAC6
SCHEMBL21783065 0.87 MAPT (0.41) ALOX15HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL21772914 0.87 HCAR2 (0.36) HCAR2KDM4CALOX15CCR2HDAC3

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 HCAR2 929/4885KDM4C 4092/4885SRD5A2 321/4885
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH HCAR2 929/4885KDM4C 4092/4885SRD5A2 321/4885
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH HCAR2 929/4885KDM4C 4092/4885SRD5A2 321/4885

“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.