SCHEMBL21653730

SCHEMBL21653730

COC(O)c1ccc(CCc2c(F)cc(N)cc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.36
▸ TAAR1 Q96RJ0 3/20 0.35
▸ GFER P55789 1/20 0.32
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL16507870 0.74 TAAR1 (0.54) CYP19A1TAAR1GFERPTGS1PTGS2
SCHEMBL19877367 0.74 LOXL2 (0.51) —
SCHEMBL20960412 0.70 TDP1 (0.42) CYP19A1
SCHEMBL22504236 0.68 TAAR1 (0.46) CYP19A1TAAR1GFERPTGS1PTGS2
SCHEMBL9979794 0.68 AOC3 (0.34) —
SCHEMBL24336328 0.67 ALDH1A1 (0.33) —
SCHEMBL24557304 0.67 TDP1 (0.47) TAAR1
SCHEMBL6206391 0.66 AOC3 (0.44) —
SCHEMBL10917544 0.66 CES2 (0.46) PTGS2
SCHEMBL18697179 0.65 PDE2A (0.35) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934280-B2 Condensed thiophene derivatives useful as NaPi-IIb inhibitors ELI LILLY AND COMPANY (US) 2021-03-02 — — US disclosed
US-20200031813-A1 CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS ELI LILLY AND COMPANY 2020-01-30 — — 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-10934280-B2 Condensed thiophene derivatives useful as NaPi-IIb inhibitors SLC34A2, ALPI, SLC34A1 CYP19A1 3394/4885TAAR1 529/4885GFER 3168/4885
US-20200031813-A1 CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS SLC34A2, ALPI, SLC34A1 CYP19A1 3394/4885TAAR1 529/4885GFER 3168/4885

“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.

Send feedback