SCHEMBL3680210

SCHEMBL3680210

CCCCCCCCCCCCC(CCCCCCCCCC)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.44
PLA2G2C Q5R387 1/20 0.44
NR1I2 O75469 1/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP9 P14780 2/20 0.37
MMP13 P45452 2/20 0.37
ADAM17 P78536 2/20 0.37
MMP1 P03956 2/20 0.37
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37

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
SCHEMBL13608639 1.00 MCHR1 (0.44) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL1770004 1.00 MCHR1 (0.44) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL26479527 1.00 MCHR1 (0.44) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL20561114 0.99 MCHR1 (0.43) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL23533337 0.95 MCHR1 (0.42) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL3416137 0.94 PRSS1 (0.46) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL27813828 0.93 PRSS1 (0.44) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL4298010 0.91 CA12 (0.42) MCHR1PLA2G2CCA12CA2CA9
SCHEMBL23834340 0.90 PLA2G2C (0.38) MCHR1PLA2G2CNR1I2CA12CA2
SCHEMBL2476440 0.88 ALDH1A1 (0.43) MCHR1PLA2G2CCA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1927584-B1 CARRIER FOR SEPARATION, METHOD FOR SEPARATION OF COMPOUND, AND METHOD FOR SYNTHESIS OF PEPTIDE USING THE CARRIER JITSUBO CO LTD (JP) 2016-11-30 EP disclosed
US-9284348-B2 Method for synthesis of peptide using a carrier JITSUBO CO., LTD. (JP) 2016-03-15 US disclosed
US-9284348-B2 Method for synthesis of peptide using a carrier JITSUBO CO., LTD. (JP) 2016-03-15 US disclosed
US-20140107319-A1 CARRIER FOR SEPARATION, METHOD FOR SEPARATION OF COMPOUND, AND METHOD FOR SYNTHESIS OF PEPTIDE USING THE CARRIER JITSUBO CO., LTD. (JP) 2014-04-17 US disclosed
US-20140107319-A1 CARRIER FOR SEPARATION, METHOD FOR SEPARATION OF COMPOUND, AND METHOD FOR SYNTHESIS OF PEPTIDE USING THE CARRIER JITSUBO CO., LTD. (JP) 2014-04-17 US disclosed
US-8633298-B2 Carrier for separation, method for separation of compound, and method for synthesis of peptide using the carrier JITSUBO CO., LTD. (JP) 2014-01-21 US disclosed
US-8633298-B2 Carrier for separation, method for separation of compound, and method for synthesis of peptide using the carrier JITSUBO CO., LTD. (JP) 2014-01-21 US disclosed
US-8633298-B2 Carrier for separation, method for separation of compound, and method for synthesis of peptide using the carrier JITSUBO CO., LTD. (JP) 2014-01-21 US disclosed
CN-101277921-B Carrier for separation, method for separation of compound, and method for synthesis of peptide using the carrier JITSUBO CO LTD 2013-05-22 CN disclosed
US-20100029904-A1 Carrier for Separation, Method for Separation of Compound, and Method for Synthesis of Peptide Using the Carrier JITSUBO CO., LTD. (JP) 2010-02-04 US disclosed
US-20100029904-A1 Carrier for Separation, Method for Separation of Compound, and Method for Synthesis of Peptide Using the Carrier JITSUBO CO., LTD. (JP) 2010-02-04 US disclosed
CN-101277921-A Carrier for separation, method for separation of compound, and method for synthesis of peptide using the carrier JITSUBO CO LTD (JP) 2008-10-01 CN disclosed
EP-1927584-A1 CARRIER FOR SEPARATION, METHOD FOR SEPARATION OF COMPOUND, AND METHOD FOR SYNTHESIS OF PEPTIDE USING THE CARRIER National University Corporation Tokyo University of Agriculture and Technology (JP) 2008-06-04 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 (2 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-20140107319-A1 CARRIER FOR SEPARATION, METHOD FOR SEPARATION OF COMPOUND, AND METHOD FOR SYNTHESIS OF PEPTIDE USING THE CARRIER CCKBR, CCKAR, VIP MCHR1 345/4885PLA2G2C 1209/4885NR1I2 3851/4885
US-20100029904-A1 Carrier for Separation, Method for Separation of Compound, and Method for Synthesis of Peptide Using the Carrier CCKBR, CCKAR, VIP MCHR1 301/4885PLA2G2C 1472/4885NR1I2 3617/4885

“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.