SCHEMBL13417606

SCHEMBL13417606

CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OS(=O)(=O)C(F)(F)F)cc3)C[C@@]21C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.80
▸ PGR P06401 9/20 0.80
▸ CYP3A4 P08684 3/20 0.71
▸ CYP2D6 P10635 3/20 0.71
▸ CYP2C19 P33261 3/20 0.71
▸ CYP2C9 P11712 3/20 0.71
▸ AR P10275 2/20 0.71
▸ CYP1A2 P05177 2/20 0.71
▸ MAPK1 P28482 2/20 0.71
▸ TDP1 Q9NUW8 2/20 0.71
▸ LMNA P02545 2/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ TP53 P04637 1/20 0.71
▸ ALOX15 P16050 1/20 0.71
▸ NFKB1 P19838 1/20 0.71
▸ THPO P40225 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ NR1I2 O75469 1/20 0.71
▸ GMNN O75496 1/20 0.71
▸ ABCB11 O95342 1/20 0.71

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
SCHEMBL13417619 0.91 NR3C1 (0.69) NR3C1PGRCYP3A4CYP2D6CYP2C19
SCHEMBL13455344 0.89 NR3C1 (0.62) NR3C1PGRCYP3A4CYP2D6CYP2C19
SCHEMBL16810124 0.88 NR3C1 (1.00) NR3C1PGRCYP3A4CYP2D6CYP2C19
SCHEMBL16810053 0.87 NR3C1 (0.95) NR3C1PGRCYP3A4CYP2D6CYP2C19
SCHEMBL7140353 0.87 NR3C1 (0.59) NR3C1PGRCYP3A4CYP2D6CYP2C19
SCHEMBL7140349 0.87 NR3C1 (0.59) NR3C1PGRCYP3A4CYP2D6CYP2C19
SCHEMBL19055726 0.86 PGR (0.85) NR3C1PGRCYP3A4CYP2D6CYP2C19
SCHEMBL19055594 0.86 NR3C1 (1.00) NR3C1PGRCYP3A4CYP2D6CYP2C19
SCHEMBL22924635 0.86 NR3C1 (1.00) NR3C1PGRCYP3A4CYP2D6CYP2C19
SCHEMBL13417566 0.86 AR (0.75) NR3C1PGRCYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678781-B2 11-phosphorous steroid derivatives useful as progesterone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-16 — — US disclosed
US-7671045-B2 17-phosphorous steroid derivatives useful as progesterone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-02 — — US disclosed
US-20070232570-A1 11-PHOSPHOROUS STEROID DERIVATIVES USEFUL AS PROGESTERONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-04 — — US disclosed
US-20070207982-A1 17-PHOSPHOROUS STEROID DERIVATIVES USEFUL AS PROGESTERONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-06 — — 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-20070207982-A1 17-PHOSPHOROUS STEROID DERIVATIVES USEFUL AS PROGESTERONE RECEPTOR MODULATORS NR5A1, PGR, NR3C2 NR3C1 4/4885PGR 2/4885CYP3A4 1937/4885
US-20070232570-A1 11-PHOSPHOROUS STEROID DERIVATIVES USEFUL AS PROGESTERONE RECEPTOR MODULATORS NR5A1, PGR, NR3C1 NR3C1 3/4885PGR 2/4885CYP3A4 1887/4885

“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.

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