SCHEMBL17036649

SCHEMBL17036649

COC(=O)CCN(OC)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TSHR P16473 4/20 0.48
CA12 O43570 4/20 0.41
CA14 Q9ULX7 4/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM5A P29375 2/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SLC1A1 P43005 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
SCHEMBL17232315 0.78 KMT2A (0.56) KMT2AMEN1TSHRCA12CA14
SCHEMBL8395382 0.78 KMT2A (0.56) KMT2AMEN1TSHRCA12CA14
SCHEMBL5595576 0.77 KMT2A (0.59) KMT2AMEN1TSHRCA12CA14
Hydrochloric Acid SCHEMBL5595816 0.75 KMT2A (0.63) KMT2AMEN1TSHRCA12CA14
SCHEMBL9494792 0.72 KMT2A (0.54) KMT2AMEN1TSHRCA12CA14
SCHEMBL64783 0.72 KMT2A (0.65) KMT2AMEN1TSHRCA12CA14
SCHEMBL16495347 0.72 KMT2A (0.48) KMT2AMEN1TSHRCA12CA14
SCHEMBL22571783 0.72 KMT2A (0.48) KMT2AMEN1TSHRCA12CA14
SCHEMBL15781604 0.72 KMT2A (0.48) KMT2AMEN1TSHRCA12CA14
SCHEMBL26476782 0.72 KMT2A (0.48) KMT2AMEN1TSHRCA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189410-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-07-06 US disclosed
US-9598446-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-9598446-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (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-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 KMT2A 4197/4885MEN1 695/4885TSHR 1878/4885
US-20170189410-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 KMT2A 4197/4885MEN1 695/4885TSHR 1878/4885

“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.