SCHEMBL21140944

SCHEMBL21140944

Cc1cc(C2OCCO2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
SLC9A1 P19634 1/20 0.36
BACE1 P56817 1/20 0.34
HTR7 P34969 1/20 0.33
GRIN2B Q13224 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 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
SCHEMBL6867644 0.82 MEN1 (0.43) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL10018131 0.82 RAB9A (0.43) HTR2AHTR2CHTR2BRAB9AMEN1
SCHEMBL3711765 0.81 ABCC9 (0.44) MEN1KMT2ASLC9A1ABCC9ABCC8
SCHEMBL21910589 0.78 CYP11B1 (0.39) SLC6A2SLC6A4SLC6A3RAB9AMEN1
SCHEMBL3695981 0.77 ESR1 (0.43) RAB9A
SCHEMBL21224168 0.77 RAB9A (0.40) RAB9AMEN1KMT2ATSHR
SCHEMBL29520509 0.77 RAB9A (0.40) RAB9AMEN1KMT2ATSHR
SCHEMBL24495510 0.77 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3RAB9AMEN1
SCHEMBL11034392 0.77 MEN1 (0.40) HTR2AHTR2CHTR2BRAB9AMEN1
SCHEMBL8493393 0.77 MEN1 (0.40) RAB9AMEN1KMT2ACYP11B1CYP11B2

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-10857123-B2 NLRP3 inhibitors for the treatment of inflammatory skin disorders GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-12-08 US disclosed
EP-3407877-B1 NLRP3 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS GALDERMA RES & DEV (FR) 2020-03-04 EP disclosed
US-20190192478-A1 NLRP3 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-06-27 US disclosed
WO-2017129897-A1 NLRP3 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-08-03 WO 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-10857123-B2 NLRP3 inhibitors for the treatment of inflammatory skin disorders NLRP3, NLRP1, PYCARD HTR2A 3494/4885HTR2C 3944/4885HTR2B 2719/4885
US-20190192478-A1 NLRP3 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS NLRP3, NLRP1, PYCARD HTR2A 3494/4885HTR2C 3944/4885HTR2B 2719/4885

“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.