SCHEMBL21370372

SCHEMBL21370372

C=C[C@](N)(CO)CCCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.38
TNNC1 P63316 5/20 0.33
S1PR1 P21453 2/20 0.33
SGPL1 O95470 1/20 0.33
S1PR4 O95977 1/20 0.33
GPR183 P32249 1/20 0.33
CERS2 Q96G23 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
SMPD1 P17405 2/20 0.31
SPHK2 Q9NRA0 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
SCHEMBL16714816 0.86 FDPS (0.38) FDPSALDH1A1TSHRSMPD1
SCHEMBL16594935 0.79 FDPS (0.40) FDPSALDH1A1TSHRSMPD1
SCHEMBL11233675 0.77 TSHR (0.42) FDPSALDH1A1TSHRSMPD1
SCHEMBL18577887 0.77 TSHR (0.42) FDPSALDH1A1TSHRSMPD1
SCHEMBL8993606 0.73 TSHR (0.35) FDPSALDH1A1TSHR
SCHEMBL517213 0.71 FDPS (0.33) FDPSTSHR
SCHEMBL27961116 0.70 FDPS (0.37) FDPSALDH1A1TSHRSMPD1
SCHEMBL10386164 0.70
SCHEMBL27961118 0.70 FDPS (0.37) FDPSALDH1A1TSHRSMPD1
SCHEMBL141848 0.69 MEN1 (0.47) FDPSTNNC1S1PR1SGPL1S1PR4

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-20220274985-A1 PROCESSES FOR PREPARING TOLL-LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2022-09-01 US disclosed
US-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2019-09-19 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-20220274985-A1 PROCESSES FOR PREPARING TOLL-LIKE RECEPTOR MODULATOR COMPOUNDS TLR4, TLR3, TLR6 FDPS 1257/4885TNNC1 3756/4885S1PR1 220/4885
US-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 FDPS 1519/4885TNNC1 4422/4885S1PR1 370/4885

“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.