SCHEMBL22559947

SCHEMBL22559947

CSc1ccc(C(O)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
SLC6A4 P31645 11/20 0.45
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
ACACB O00763 1/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
MAOA P21397 1/20 0.41
ALOX5 P09917 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL412304 0.83 KDM4E (0.57) KDM4ESLC6A4AKR1C3AKR1C2SLC6A2
SCHEMBL412297 0.83 KDM4E (0.57) KDM4ESLC6A4AKR1C3AKR1C2SLC6A2
SCHEMBL12101192 0.83 KDM4E (0.57) KDM4ESLC6A4AKR1C3AKR1C2SLC6A2
SCHEMBL441857 0.83 KDM4E (0.57) KDM4ESLC6A4AKR1C3AKR1C2SLC6A2
SCHEMBL5140474 0.83 KDM4E (0.57) KDM4ESLC6A4AKR1C3AKR1C2SLC6A2
SCHEMBL6839350 0.83 KDM4E (0.46) KDM4ECYP3A4CYP2D6
SCHEMBL13264873 0.81 SLC6A4 (0.48) KDM4ESLC6A4AKR1C3AKR1C2ACACB
Hydrochloric Acid SCHEMBL444253 0.81 ALDH1A1 (0.59) KDM4ESLC6A4AKR1C3AKR1C2SLC6A2
SCHEMBL16788780 0.81 SLC6A4 (0.41) KDM4ESLC6A4AKR1C3AKR1C2ACACB
SCHEMBL7557160 0.80 SLC6A4 (0.53) KDM4ESLC6A4AKR1C3AKR1C2ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807962-B2 Process for the synthesis of firocoxib COSMA S.P.A. (IT) 2020-10-20 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-10807962-B2 Process for the synthesis of firocoxib RIOX2, PPOX, CYP4X1 KDM4E 391/4885SLC6A4 4161/4885AKR1C3 484/4885

“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.