SCHEMBL18664263

SCHEMBL18664263

CCC[C@H](CC)C(=O)NCCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
USP2 O75604 2/20 0.57
HDAC7 Q8WUI4 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
DPP7 Q9UHL4 2/20 0.46
RRM1 P23921 1/20 0.45
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42

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
SCHEMBL18664311 1.00 TSHR (0.57) TSHRUSP2HDAC7HDAC8HDAC6
SCHEMBL19432330 1.00 TSHR (0.57) TSHRUSP2HDAC7HDAC8HDAC6
SCHEMBL11810200 0.88 TSHR (0.74) TSHRUSP2HDAC7HDAC8HDAC6
SCHEMBL12769547 0.86 TSHR (0.64) TSHRUSP2HDAC7HDAC8HDAC6
Fluoride SCHEMBL26968725 0.84 GNAI3 (0.55) TSHRUSP2CA1CA2DPP7
SCHEMBL23140154 0.82 USP2 (0.61) TSHRUSP2HDAC7HDAC8HDAC6
SCHEMBL20145307 0.82 TSHR (0.59) TSHRUSP2HDAC7HDAC8HDAC6
SCHEMBL18638423 0.82 TSHR (0.59) TSHRUSP2HDAC7HDAC8HDAC6
SCHEMBL18664262 0.82 TSHR (0.59) TSHRUSP2HDAC7HDAC8HDAC6
SCHEMBL17624932 0.81 USP2 (0.59) TSHRUSP2HDAC7HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218709-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2022-07-14 US disclosed
EP-3722297-A1 TOLL-LIKE RECEPTOR MODULATING 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS Gilead Sciences, Inc. (US) 2020-10-14 EP disclosed
US-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2019-09-19 US disclosed
US-10285990-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2019-05-14 US disclosed
EP-3321265-A1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS Gilead Sciences, Inc. (US) 2018-05-16 EP disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
WO-2017048727-A1 MODULATORS OF TOLL-LIKE RECPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2017-03-23 WO 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 (4 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TSHR 1106/4885USP2 3801/4885HDAC7 612/4885
US-10285990-B2 Toll like receptor modulator compounds TLR8, TLR3, TLR6 TSHR 1106/4885USP2 3801/4885HDAC7 612/4885
US-20220218709-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TSHR 1106/4885USP2 3801/4885HDAC7 612/4885
US-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TSHR 1106/4885USP2 3801/4885HDAC7 612/4885

“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.