SCHEMBL25933192

SCHEMBL25933192

CC(C)CNc1nc(C(=O)O)co1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KDM6B O15054 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
CES1 P23141 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ESR1 P03372 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 1/20 0.35
FPR2 P25090 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 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
SCHEMBL3539633 0.81 ELANE (0.37) HCAR3HCAR2CES1L3MBTL1HDAC1
SCHEMBL25933664 0.79 ELANE (0.40) HCAR3HCAR2KDM6BKDM4CCES1
SCHEMBL12999910 0.79 KMT2A (0.42) CES1L3MBTL1HDAC1ALDH1A1HPGD
SCHEMBL3370259 0.78 ELANE (0.37) HCAR3HCAR2CES1HDAC1TSHR
SCHEMBL18629308 0.75 HDAC1 (0.40) CES1L3MBTL1HDAC1ALDH1A1TSHR
SCHEMBL1527329 0.74 ELANE (0.45) HCAR3HCAR2KDM6BKDM4CCES1
SCHEMBL15053076 0.73 KDM4E (0.46) CES1ADORA1L3MBTL1HDAC1ALDH1A1
SCHEMBL5184461 0.72 L3MBTL1 (0.58) HCAR3HCAR2KDM6BKDM4CADORA2A
SCHEMBL19538513 0.72 HDAC1 (0.35) L3MBTL1HDAC1GAAHPGDRAB9A
SCHEMBL25518364 0.72 HDAC1 (0.36) CES1HDAC1ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 US disclosed
US-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 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 (1 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 HCAR3 2922/4885HCAR2 3421/4885KDM6B 1350/4885

“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.