SCHEMBL22000896

SCHEMBL22000896

C[C@@H]1c2ccc(C(=O)O)cc2N(Cc2c(F)cccc2Cl)C(=O)N1C

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.73
TP53 P04637 5/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
RORC P51449 1/20 0.42
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.41
SLC22A12 Q96S37 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
SCHEMBL31065609 1.00 STING1 (0.73) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL21932350 1.00 STING1 (0.73) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL31065616 1.00 STING1 (0.73) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL21932216 1.00 STING1 (0.73) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL31065580 0.91 STING1 (0.71) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL21932446 0.89 STING1 (0.72) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL31065605 0.89 STING1 (0.72) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL22000894 0.89 STING1 (0.72) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL21932342 0.89 STING1 (0.72) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL21932273 0.84 STING1 (0.84) STING1TP53MAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11571423-B2 Small molecule modulators of human sting CURADEV PHARMA LIMITED (GB) 2023-02-07 US disclosed
EP-3642198-B1 SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LTD (GB) 2022-03-16 EP disclosed
US-20200147083-A1 SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2020-05-14 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 (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-11571423-B2 Small molecule modulators of human sting STING1, IRF3, CGAS STING1 1/4885TP53 196/4885MAPT 4702/4885
US-20200147083-A1 SMALL MOLECULE MODULATORS OF HUMAN STING STING1, IRF3, CGAS STING1 1/4885TP53 196/4885MAPT 4702/4885

“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.