SCHEMBL23908830

SCHEMBL23908830

O=C(O)Cn1nc(Cc2nc3cc(OCC4CC4)c(F)cc3[nH]2)c2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 13/20 1.00
TSHR P16473 1/20 0.45
CMA1 P23946 2/20 0.43
AKR1B1 P15121 3/20 0.41
ALOX15 P16050 1/20 0.41
KCNH2 Q12809 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
SCHEMBL23914820 0.97 S1PR2 (0.94) S1PR2TSHRCMA1AKR1B1ALOX15
SCHEMBL23915577 0.90 S1PR2 (0.82) S1PR2TSHRCMA1AKR1B1KCNH2
SCHEMBL23908800 0.90 S1PR2 (1.00) S1PR2TSHRCMA1AKR1B1
SCHEMBL23908744 0.89 S1PR2 (0.80) S1PR2TSHRCMA1AKR1B1ALOX15
SCHEMBL23908818 0.89 S1PR2 (0.94) S1PR2TSHRCMA1AKR1B1ALOX15
SCHEMBL23909034 0.88 S1PR2 (0.81) S1PR2TSHRCMA1AKR1B1ALOX15
SCHEMBL23913415 0.88 S1PR2 (0.94) S1PR2TSHRCMA1AKR1B1ALOX15
SCHEMBL23915221 0.87 S1PR2 (0.77) S1PR2TSHRCMA1ALOX15KCNH2
SCHEMBL23908998 0.87 S1PR2 (0.83) S1PR2TSHRCMA1AKR1B1ALOX15
SCHEMBL23908769 0.80 S1PR2 (0.69) S1PR2TSHRCMA1AKR1B1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP claimed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US claimed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN claimed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 S1PR2 3/4885TSHR 588/4885CMA1 260/4885

“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.