SCHEMBL24337403

SCHEMBL24337403

O=S(=O)(c1ccccc1)N1CC2CC(CO)(CO)CC(C1)N2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
USP2 O75604 2/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29654817 1.00 CYP2D6 (0.44) CYP2D6USP2ALDH1A1GAAPOLB
SCHEMBL23539689 0.85 CYP2D6 (0.50) CYP2D6USP2ALDH1A1GAAPOLB
SCHEMBL23540469 0.81 CYP2D6 (0.46) CYP2D6USP2ALDH1A1POLBTSHR
SCHEMBL29654690 0.81 CYP2D6 (0.46) CYP2D6USP2ALDH1A1POLBTSHR
SCHEMBL5241006 0.80 CYP2D6 (0.52) CYP2D6USP2ALDH1A1POLBTSHR
SCHEMBL25774629 0.80 ALDH1A1 (0.50) CYP2D6USP2ALDH1A1GAAPOLB
SCHEMBL23539685 0.79 CYP2D6 (0.45) CYP2D6USP2ALDH1A1POLBTSHR
SCHEMBL1922869 0.79 TSHR (0.48) CYP2D6USP2ALDH1A1POLBTSHR
SCHEMBL29654797 0.78 CYP2C19 (0.48) CYP2D6ALDH1A1GAAPOLBCYP3A4
SCHEMBL24337779 0.78 CYP2C19 (0.48) CYP2D6ALDH1A1GAAPOLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217071-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2023-08-02 EP disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 US disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 US disclosed
EP-4076667-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2022-10-26 EP disclosed
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 WO disclosed
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2022-04-21 US disclosed
WO-2022066805-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-03-31 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 (3 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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR CYP2D6 9/4885USP2 4754/4885ALDH1A1 547/4885
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES DHFR, TYMS, TYMP CYP2D6 8/4885USP2 4702/4885ALDH1A1 564/4885
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES KRAS, NRAS, HRAS CYP2D6 1400/4885USP2 2666/4885ALDH1A1 2548/4885

“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.