SCHEMBL10083734

SCHEMBL10083734

CS(=O)(=O)Oc1cccc(C2(C(=O)O)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
AKR1C1 Q04828 1/20 0.44
FAAH O00519 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL1465003 0.81 KMT2A (0.50) KMT2AAKR1C1MEN1ALDH1A1
SCHEMBL10083737 0.81 KMT2A (0.50) KMT2AAKR1C1MEN1CYP2C19
SCHEMBL15547234 0.78 AKR1C1 (0.53) KMT2AAKR1C1AKR1C3ALDH1A1
SCHEMBL10083308 0.77 KMT2A (0.50) KMT2AAKR1C1MEN1CYP2C19AKR1C3
SCHEMBL521247 0.76 AKR1C1 (0.54) KMT2AAKR1C1MEN1ALDH1A1
SCHEMBL7467608 0.76 AKR1C1 (0.59) KMT2AAKR1C1MEN1ALDH1A1
SCHEMBL21874215 0.75 KDM1A (0.49) KMT2AAKR1C1MEN1ALDH1A1
SCHEMBL21826168 0.75 HDAC3 (0.48) KMT2AAKR1C1AKR1C3AKR1C2
SCHEMBL8587542 0.75 AKR1C1 (0.57) KMT2AAKR1C1MEN1ALDH1A1
SCHEMBL10083000 0.73 ALDH1A1 (0.55) AKR1C1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 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 (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-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 KMT2A 1079/4885AKR1C1 494/4885FAAH 520/4885

“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.