SCHEMBL20208614

SCHEMBL20208614

Cc1c(N2CCN(C)[C@@H](C)C2)cc(C)c2c3c(c(=O)oc12)CNCC3

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTHFD1 P11586 4/20 0.39
MTHFD2 P13995 4/20 0.39
ERN1 O75460 2/20 0.32
WDR5 P61964 5/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
Hydrochloric Acid SCHEMBL21354118 0.99 MTHFD1 (0.38) MTHFD1MTHFD2ERN1WDR5ADRA2A
SCHEMBL20208615 0.86 MTHFD2 (0.36) MTHFD1MTHFD2ERN1
SCHEMBL31535176 0.85 MTHFD1 (0.30) MTHFD1MTHFD2
SCHEMBL31535444 0.85 MTHFD1 (0.30) MTHFD1MTHFD2
SCHEMBL20209028 0.83 MTHFD2 (0.51) MTHFD1MTHFD2ERN1
Hydrochloric Acid SCHEMBL21354111 0.82 MTHFD2 (0.51) MTHFD1MTHFD2ERN1
SCHEMBL31535487 0.81 ERN1 (0.32) ERN1
SCHEMBL21354119 0.80 MTHFD2 (0.51) MTHFD1MTHFD2ERN1WDR5
SCHEMBL31535274 0.77 MTHFD1 (0.33) MTHFD1MTHFD2
SCHEMBL31535257 0.77

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-3546463-B1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON DAIICHI SANKYO CO LTD (JP) 2022-12-07 EP disclosed
US-10774087-B2 Sulfonamide derivative having coumarin skeleton DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-09-15 US disclosed
EP-3546463-A1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON Daiichi Sankyo Co., Ltd. (JP) 2019-10-02 EP disclosed
US-20190284198-A1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-09-19 US disclosed
WO-2018097162-A1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON 第一三共株式会社 2018-05-31 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 (2 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-20190284198-A1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON MTHFD1, MTHFD2, DHFR MTHFD1 1/4885MTHFD2 2/4885ERN1 2490/4885
US-10774087-B2 Sulfonamide derivative having coumarin skeleton MTHFD1, MTHFD2, DHFR MTHFD1 1/4885MTHFD2 2/4885ERN1 2490/4885

“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.