SCHEMBL694544

SCHEMBL694544

CCCCCC(C)(I)CI

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 7/20 0.38
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
FDPS P14324 11/20 0.33
SMPD1 P17405 2/20 0.31
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 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
SCHEMBL10704293 0.81 GGPS1 (0.44) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL7871005 0.80
SCHEMBL25947306 0.79 GGPS1 (0.43) GGPS1TSHRTHRBFDPSSMPD1
Hydrogen Sulfide SCHEMBL11683358 0.77 GGPS1 (0.41) GGPS1TSHRTHRBFDPS
SCHEMBL13306718 0.76 GGPS1 (0.39) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL27883694 0.75
SCHEMBL15613358 0.75
SCHEMBL27944729 0.74 GGPS1 (0.43) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL10384248 0.74 GGPS1 (0.43) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL19322784 0.73 DNM1 (0.59) GGPS1TSHRFDPSSMPD1

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
EP-1606248-B1 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-02-29 EP disclosed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2006-11-16 US disclosed
EP-1606248-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2005-12-21 EP disclosed
WO-2004080951-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2004-09-23 WO disclosed
EP-1457485-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them Dompé S.P.A. (IT) 2004-09-15 EP disclosed
EP-0719839-B1 Phthalocyanine compounds and optical recording media comprising them MITSUI CHEMICALS INC (JP) 2001-07-25 EP disclosed
US-5693396-A NEAR INFRARED LIGHT ABSORBERS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-12-02 US disclosed
EP-0719839-A2 Phthalocyanine compounds and optical recording media comprising them MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-07-03 EP 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-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them CCR8, CCR1, CXCR1 GGPS1 1199/4885TSHR 2534/4885THRB 4725/4885

“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.