SCHEMBL16638657

SCHEMBL16638657

O=C(O)CCN(CCC(=O)O)CCc1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.34
TBXAS1 P24557 2/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL16638617 0.86 CAPN1 (0.39)
SCHEMBL12847847 0.85 HPRT1 (0.39) HPRT1
SCHEMBL12847510 0.85 MTNR1A (0.30)
SCHEMBL216266 0.83 FFAR1 (0.39) TBXAS1
Hydrochloric Acid SCHEMBL1311654 0.81 FFAR1 (0.38) TBXAS1
Hydrochloric Acid SCHEMBL6625511 0.81 FFAR1 (0.38) TBXAS1
SCHEMBL16330407 0.81 HDAC3 (0.36) CA1CA2
SCHEMBL18906027 0.80 SMN1; SMN2 (0.41) TBXAS1
SCHEMBL10584157 0.79 LTA4H (0.43)
Hydrochloric Acid SCHEMBL11161336 0.78 TBXAS1 (0.41) TBXAS1

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-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-14 US disclosed
US-9006487-B2 Amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-14 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-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF PHOSPHO1, CHMP4B, SGMS1 HPRT1 1290/4885TBXAS1 2547/4885CA12 4058/4885

“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.