SCHEMBL12913268

SCHEMBL12913268

CCCCc1csc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 7/20 0.49
▸ LIPG Q9Y5X9 7/20 0.49
▸ SKP2 Q13309 1/20 0.36
▸ NPC1 O15118 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ OPRM1 P35372 3/20 0.31

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
SCHEMBL9891143 0.95 LPL (0.55) LPLLIPGSKP2OPRM1
SCHEMBL31516134 0.94 LPL (0.56) LPLLIPGOPRM1
SCHEMBL121471 0.94 LPL (0.56) LPLLIPGOPRM1
SCHEMBL15072065 0.94 LPL (0.56) LPLLIPGOPRM1
SCHEMBL12913231 0.84 LIPG (0.45) LPLLIPGNPC1
SCHEMBL21052188 0.83 LPL (0.39) LPLLIPG
SCHEMBL27949745 0.80 LPL (0.45) LPLLIPGOPRM1
SCHEMBL25280699 0.79 LPL (0.36) LPLLIPGHTT
SCHEMBL18966974 0.79 LPL (0.41) LPLLIPG
SCHEMBL19176431 0.79 LPL (0.41) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018397-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2015-04-28 — — US disclosed
US-9018397-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2015-04-28 — — US disclosed
EP-2209788-B1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2013-09-04 — — EP disclosed
US-20130172575-A1 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-07-04 — — US disclosed
US-20130172575-A1 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-07-04 — — US disclosed
US-8404864-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-03-26 — — US disclosed
US-8404864-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-03-26 — — US disclosed
US-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2011-01-06 — — US disclosed
US-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2011-01-06 — — 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 (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-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE PPOX, PIN1, DDT LPL 3369/4885LIPG 3850/4885SKP2 686/4885

“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.

Send feedback