SCHEMBL13258710

SCHEMBL13258710

NCCCCC(N)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.62
▸ SPHK1 Q9NYA1 6/20 0.57
▸ SPHK2 Q9NRA0 1/20 0.53
▸ MMP2 P08253 2/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ TERT O14746 3/20 0.49
▸ S1PR1 P21453 3/20 0.46
▸ S1PR3 Q99500 3/20 0.46
▸ S1PR4 O95977 2/20 0.46
▸ S1PR5 Q9H228 2/20 0.46
▸ S1PR2 O95136 1/20 0.46
▸ CHEK1 O14757 1/20 0.42
▸ GSR P00390 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
SCHEMBL17637516 0.95 LTA4H (0.56) LTA4HSPHK1SPHK2MMP2MMP9
SCHEMBL17661962 0.95 LTA4H (0.56) LTA4HSPHK1SPHK2MMP2MMP9
SCHEMBL19234733 0.87 LTA4H (0.60) LTA4HSPHK1SPHK2MMP2MMP9
SCHEMBL26266218 0.85 SPHK1 (0.68) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL20715656 0.85 LTA4H (0.58) LTA4HSPHK1SPHK2MMP2MMP9
SCHEMBL24395095 0.85 SPHK1 (0.57) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL14850430 0.85 SPHK1 (0.57) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL16847450 0.84 SPHK1 (0.53) LTA4HSPHK1SPHK2S1PR1S1PR3
SCHEMBL26464130 0.84 LTA4H (0.60) LTA4HSPHK1SPHK2MMP2MMP9
SCHEMBL25333060 0.83 SPHK1 (0.56) LTA4HSPHK1SPHK2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396036-B1 IMMUNOCONJUGATES WITH AN INTRACELLULARLY-CLEAVABLE LINKAGE IMMUNOMEDICS INC (US) 2017-06-28 — — EP disclosed
US-20170151356-A1 Camptothecin Conjugates of Anti-CD22 Antibodies for Treatment of B Cell Diseases IMMUNOMEDICS, INC. 2017-06-01 — — US disclosed
US-20170151356-A1 Camptothecin Conjugates of Anti-CD22 Antibodies for Treatment of B Cell Diseases IMMUNOMEDICS, INC. 2017-06-01 — — US disclosed
WO-2014092804-A1 DOSAGES OF IMMUNOCONJUGATES OF ANTIBODIES AND SN-38 FOR IMPROVED EFFICACY AND DECREASED TOXICITY IMMUNOMEDICS, INC. (US) 2014-06-19 — — WO disclosed
WO-2010093395-A1 IMMUNOCONJUGATES WITH AN INTRACELLULARLY-CLEAVABLE LINKAGE IMMUNOMEDICS, INC. (US) 2010-08-19 — — WO 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-20170151356-A1 Camptothecin Conjugates of Anti-CD22 Antibodies for Treatment of B Cell Diseases CD22, CD2, CD2BP2 LTA4H 1815/4885SPHK1 1602/4885SPHK2 1140/4885

“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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