SCHEMBL4195026

SCHEMBL4195026

CC(CC1CCCCC1)NCc1ccccc1N/C(N)=N/S(=O)(=O)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
CTSD P07339 2/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
F2RL1 P55085 1/20 0.33

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
SCHEMBL4195029 1.00 F2 (0.40) F2PRSS1PRSS2PRSS3CTSD
SCHEMBL4190882 0.85 CTSD (0.39) CTSDKMT2APKMF2RL1
SCHEMBL4190888 0.85 CTSD (0.39) CTSDKMT2APKMF2RL1
SCHEMBL4192581 0.84 KDM4E (0.43) F2PRSS1PRSS2PRSS3CTSD
SCHEMBL4192576 0.84 KDM4E (0.43) F2PRSS1PRSS2PRSS3CTSD
SCHEMBL4203657 0.83 LMNA (0.38) F2PRSS1PRSS2PRSS3CTSD
SCHEMBL4203651 0.83 LMNA (0.38) F2PRSS1PRSS2PRSS3CTSD
SCHEMBL4198105 0.81 NPC1 (0.49) ALDH1A1MEN1KMT2APKMGAA
SCHEMBL4199654 0.80 NPC1 (0.50) ALDH1A1MEN1KMT2APKMGAA
SCHEMBL4197733 0.78 ALDH1A1 (0.48) POLBALDH1A1MEN1KMT2APKM

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-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP claimed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US claimed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US disclosed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 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-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 F2 4263/4885PRSS1 1371/4885PRSS2 1445/4885

“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.