SCHEMBL10147795

SCHEMBL10147795

CC(C)(C)S(=O)(=O)c1ccc(Cl)cc1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.51
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
TRPV4 Q9HBA0 1/20 0.41
SLC40A1 Q9NP59 4/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSD11B1 P28845 1/20 0.38

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
SCHEMBL10146094 0.85 CCR2 (0.49) CCR2ALDH1A1L3MBTL1TRPV4SLC40A1
SCHEMBL1465565 0.81 ALDH1A1 (0.48) CCR2ALDH1A1L3MBTL1LMNAPKM
SCHEMBL12560662 0.80 CCR2 (0.68) CCR2ALDH1A1L3MBTL1TRPV4SLC40A1
SCHEMBL14519875 0.80 AKR1B1 (0.44) CCR2ALDH1A1L3MBTL1PKMNPC1
SCHEMBL13900918 0.80 HSD11B1 (0.46) ALDH1A1L3MBTL1TRPV4LMNANPC1
SCHEMBL29948966 0.78 TRPV4 (0.53) CCR2ALDH1A1L3MBTL1TRPV4SLC40A1
SCHEMBL13343225 0.78 CCR2 (0.51) CCR2ALDH1A1L3MBTL1TRPV4SLC40A1
SCHEMBL1029355 0.78 TRPV4 (0.53) CCR2ALDH1A1L3MBTL1TRPV4SLC40A1
SCHEMBL24429413 0.77 CCR2 (0.59) CCR2ALDH1A1SLC40A1
SCHEMBL2774927 0.76 CCR2 (0.50) CCR2ALDH1A1L3MBTL1SLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP 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-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 CCR2 170/4885ALDH1A1 1438/4885L3MBTL1 2335/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 CCR2 770/4885ALDH1A1 983/4885L3MBTL1 3162/4885

“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.