SCHEMBL539499

SCHEMBL539499

[CH2]CCCCCSCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
HTT P42858 1/20 0.40
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
FAAH O00519 1/20 0.36
GBA1 P04062 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOA P21397 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5073228 1.00 CYP2C19 (0.48) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5272714 0.98 CYP2C19 (0.50) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5979449 0.92 CYP2C19 (0.52) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28131316 0.90 CYP2C19 (0.50) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6306047 0.87 CYP2C19 (0.59) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28965534 0.85 CYP2C19 (0.57) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8748290 0.84 CYP2C19 (0.48) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5074208 0.84 CYP1A2 (0.53) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL934486 0.83 CYP2C19 (0.55) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7909121 0.83 CYP2C19 (0.59) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9

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
EP-2414372-B1 CHEMICAL SYNTHESIS OF PHOSPHATIDYLINOSITOL MANNOSIDE GLYCANS FROM MYCOBACTERIUM TUBERCULOSIS MAX PLANCK GESELLSCHAFT (DE) 2013-10-23 EP disclosed
US-8536153-B2 Chemical synthesis of phosphatidylinositol mannoside glycans from Mycobacterium tuberculosis MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2013-09-17 US disclosed
EP-2414372-A1 CHEMICAL SYNTHESIS OF PHOSPHATIDYLINOSITOL MANNOSIDE GLYCANS FROM MYCOBACTERIUM TUBERCULOSIS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-02-08 EP disclosed
US-20110256173-A1 CHEMICAL SYNTHESIS OF PHOSPHATIDYLINOSITOL MANNOSIDE GLYCANS FROM MYCOBACTERIUM TUBERCULOSIS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2011-10-20 US disclosed
EP-2186818-A1 Chemical synthesis of phosphatidylinositol mannoside glycans form mycobacterium tuberculosis ETH Zurich (CH) 2010-05-19 EP disclosed
WO-2010051961-A1 CHEMICAL SYNTHESIS OF PHOSPHATIDYLINOSITOL MANNOSIDE GLYCANS FROM MYCOBACTERIUM TUBERCULOSIS ETH ZURICH (CH) 2010-05-14 WO disclosed
US-4393070-A HYPOTENSIVE, VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-07-12 US disclosed
US-4307103-A TREATMENT OF HYPERTENSION AND CARDIOVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-22 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-20110256173-A1 CHEMICAL SYNTHESIS OF PHOSPHATIDYLINOSITOL MANNOSIDE GLYCANS FROM MYCOBACTERIUM TUBERCULOSIS PIM1, PIM3, PIM2 CYP2C19 4325/4885CYP1A2 4003/4885CYP3A4 3016/4885

“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.