SCHEMBL16009977

SCHEMBL16009977

[CH2]C(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.72
▸ LMNA P02545 4/20 0.70
▸ TSHR P16473 2/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ MARS2 Q96GW9 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ MAPT P10636 1/20 0.69
▸ RPLP1 P05386 1/20 0.64
▸ RPLP0 P05388 1/20 0.64
▸ RPS17 P08708 1/20 0.64
▸ RPSA P08865 1/20 0.64
▸ RPS2 P15880 1/20 0.64
▸ RPL35A P18077 1/20 0.64
▸ RPL7 P18124 1/20 0.64
▸ RPL17 P18621 1/20 0.64
▸ RPS4Y1 P22090 1/20 0.64
▸ RPS3 P23396 1/20 0.64
▸ RPS12 P25398 1/20 0.64
▸ RPL13 P26373 1/20 0.64

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
SCHEMBL12850350 0.88 CYP3A4 (0.72) CYP3A4LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL16011473 0.88 CYP3A4 (0.91) CYP3A4LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL4744337 0.88 CYP3A4 (0.72) CYP3A4LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL16011501 0.87 CYP3A4 (0.71) CYP3A4LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL16093313 0.86 LMNA (0.74) CYP3A4LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL16009887 0.86 CYP3A4 (0.67) CYP3A4LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL6424822 0.86 CYP3A4 (0.77) CYP3A4LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL2321619 0.86 CYP3A4 (0.77) CYP3A4LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL11043104 0.85 CYP3A4 (0.69) CYP3A4LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL18548827 0.84 LMNA (0.71) CYP3A4LMNATSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964265-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2016-01-13 — — EP claimed
WO-2014138343-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-12 — — WO claimed
US-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-11 — — US claimed
EP-2964265-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2016-01-13 — — EP disclosed
WO-2014138343-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-12 — — WO disclosed
US-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-11 — — 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 (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-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS MMP17, NAALAD2, DNPEP CYP3A4 110/4885LMNA 3463/4885TSHR 4402/4885

“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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