SCHEMBL7249296

SCHEMBL7249296

O=S(=O)(Cc1ccccc1)C1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.46
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
TSHR P16473 1/20 0.38
FAAH O00519 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
ELANE P08246 1/20 0.38
PRTN3 P24158 1/20 0.38
PRSS3 P35030 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL10797545 0.83 DRD2 (0.41) APLNR
SCHEMBL21234184 0.81 HPGD (0.51) KMT2AHPGDUSP2HSD17B10CA1
SCHEMBL10800380 0.80 GBA1 (0.50) KMT2AHPGDUSP2HSD17B10CA1
SCHEMBL3244251 0.80 HPGD (0.54) KMT2AHPGDUSP2HSD17B10CA1
SCHEMBL10794754 0.79 HTR6 (0.44) APLNRKMT2AHPGDHSD17B10CA2
SCHEMBL711807 0.76 APLNR (0.50) APLNRKMT2AMMP1MMP8MMP13
Hydrochloric Acid SCHEMBL28532829 0.74 APLNR (0.49) APLNRKMT2AMMP1MMP8MMP13
SCHEMBL10798931 0.73 APLNR (0.38) APLNRCXCR2
SCHEMBL30610165 0.72 APLNR (0.46) APLNRCXCR2
Fumaric Acid SCHEMBL10799317 0.72 HRH1 (0.50) KMT2AGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-6521614-B1 Anticoagulant agents for treatment and prevention of thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-18 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-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C APLNR 4338/4885KMT2A 2825/4885HPGD 2716/4885

“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.