SCHEMBL20755697

SCHEMBL20755697

COc1cc(C(C)C)c(N)cc1S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.55
P2RX2 Q9UBL9 6/20 0.55
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL1099448 0.82 GAA (0.55) P2RX3P2RX2POLBGAAGFER
SCHEMBL10915114 0.80 PKM (0.61) P2RX3P2RX2PKMSMN1; SMN2POLB
SCHEMBL3342580 0.72 PKM (0.56) P2RX3P2RX2PKMSMN1; SMN2POLB
SCHEMBL1494167 0.72 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL29448542 0.72 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL29631745 0.72 GAA (0.58) P2RX3P2RX2PKMPOLBGAA
SCHEMBL19364117 0.72 GAA (0.62) P2RX3P2RX2PKMPOLBGAA
SCHEMBL16522172 0.72 P2RX3 (0.81) P2RX3P2RX2
SCHEMBL22854122 0.71 ALDH1A1 (0.62) P2RX3P2RX2SMN1; SMN2POLBGAA
SCHEMBL6298412 0.71 KDM4E (0.55) P2RX3P2RX2PKMSMN1; SMN2POLB

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
EP-3433258-B1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC (US) 2023-07-19 EP disclosed
US-11230532-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2022-01-25 US disclosed
US-20200239421-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2020-07-30 US disclosed
US-10662162-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2020-05-26 US disclosed
US-20190055202-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2019-02-21 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 (4 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-11230532-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX7, P2RX1 P2RX3 1/4885P2RX2 6/4885PKM 1541/4885
US-10662162-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX7, P2RX1 P2RX3 1/4885P2RX2 6/4885PKM 1474/4885
US-20190055202-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR P2RX3, P2RX7, P2RX1 P2RX3 1/4885P2RX2 6/4885PKM 1474/4885
US-20200239421-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR P2RX3, P2RX7, P2RX1 P2RX3 1/4885P2RX2 6/4885PKM 1541/4885

“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.