SCHEMBL2801523

SCHEMBL2801523

CC(C)C#Cc1ccc(C(=O)O)cc1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
XDH P47989 3/20 0.45
EP300 Q09472 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
TPMT P51580 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
RXRA P19793 3/20 0.41
RXRB P28702 2/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2805140 0.86 MAPT (0.42) KMT2AXDHCA12CA1CA2
SCHEMBL1872491 0.82 XDH (0.60) KMT2AXDHCA12CA1CA2
SCHEMBL2802175 0.82 CA12 (0.40) CA12CA1CA2CA4CA6
SCHEMBL3545163 0.77 KMT2A (0.58) KMT2AXDHEP300CA12CA1
SCHEMBL16369652 0.76 EP300 (0.63) KMT2AEP300CA12CA1CA2
SCHEMBL30603423 0.76 XDH (0.67) KMT2AXDHALDH1A1HPGD
SCHEMBL403398 0.76 XDH (0.67) KMT2AXDHALDH1A1HPGD
Hydrochloric Acid SCHEMBL28477854 0.75 XDH (0.66) KMT2AXDHALDH1A1HPGD
SCHEMBL2543398 0.74 KMT2A (0.55) KMT2AXDHCA12CA1CA2
SCHEMBL11672654 0.74 HTT (0.66) KMT2AEP300CA12CA1CA2

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
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 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-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy PTGER1, SULT2A1, SULT1E1 KMT2A 3450/4885XDH 447/4885EP300 3286/4885

“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.