SCHEMBL9914390

SCHEMBL9914390

CCOC(=O)C1=C(CBr)N(c2cccc(C(F)(F)F)c2)C(=O)NC1c1ccc(I)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 15/20 0.64
▸ CYP2C9 P11712 8/20 0.64
▸ CYP3A4 P08684 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL8227499 0.91 ELANE (0.64) ELANECYP2C9CYP3A4ALDH1A1ADRB1
SCHEMBL8053053 0.91 ELANE (0.64) ELANECYP2C9CYP3A4ALDH1A1ADRB1
SCHEMBL9914387 0.89 ELANE (0.79) ELANECYP2C9CYP3A4ALDH1A1ADRB1
SCHEMBL6295870 0.89 ELANE (0.81) ELANECYP2C9CYP3A4
SCHEMBL1134170 0.89 ELANE (0.81) ELANECYP2C9CYP3A4
SCHEMBL14899945 0.86 ELANE (0.66) ELANECYP2C9CYP3A4ALDH1A1ADRB1
SCHEMBL9914389 0.84 ELANE (0.68) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL8052101 0.82 ELANE (0.52) ELANECYP2C9CYP3A4ALDH1A1ADRB1
SCHEMBL2887923 0.82 ELANE (0.79) ELANECYP2C9CYP3A4ALDH1A1ADRB1
SCHEMBL1134176 0.80 ELANE (0.65) ELANECYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957082-B2 Tetrahydropyrrolopyrimidinediones and their use in therapy CHIESI FARMACEUTICI S.P.A (IT) 2015-02-17 — — US disclosed
US-8957082-B2 Tetrahydropyrrolopyrimidinediones and their use in therapy CHIESI FARMACEUTICI S.P.A (IT) 2015-02-17 — — US disclosed
US-20120202826-A1 Tetrahydropyrrolopyrimidinediones And Their Use In Therapy CHIESI FARMACEUTICI S.P.A. (IT) 2012-08-09 — — US disclosed
US-20120202826-A1 Tetrahydropyrrolopyrimidinediones And Their Use In Therapy CHIESI FARMACEUTICI S.P.A. (IT) 2012-08-09 — — US disclosed
US-8198288-B2 Tetrahydropyrrolopyrimidinediones and their use in therapy PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2012-06-12 — — US disclosed
US-8198288-B2 Tetrahydropyrrolopyrimidinediones and their use in therapy PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2012-06-12 — — US disclosed
US-20090093477-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE IN THERAPY CHIESI FARMACEUTICI S.P.A. (IT) 2009-04-09 — — US disclosed
US-20090093477-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE IN THERAPY CHIESI FARMACEUTICI S.P.A. (IT) 2009-04-09 — — 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-20120202826-A1 Tetrahydropyrrolopyrimidinediones And Their Use In Therapy SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 1646/4885CYP3A4 712/4885
US-20090093477-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE IN THERAPY NOX1, NOX3, ELANE ELANE 3/4885CYP2C9 2216/4885CYP3A4 1050/4885

“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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