SCHEMBL20646641

SCHEMBL20646641

CSSc1ccc(C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
RAB9A P51151 2/20 0.35
PLAU P00749 1/20 0.35

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
SCHEMBL11728634 0.88 CCR1 (0.52) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL485398 0.81
SCHEMBL19543225 0.77 CCR1 (0.41) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL20287495 0.77 CCR1 (0.41) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL15164845 0.76 CA12 (0.41) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL19486598 0.75 EHMT2 (0.65) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL24800428 0.74
SCHEMBL18871891 0.74
SCHEMBL18194085 0.74 CCR1 (0.43) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL22171102 0.72 NOS3 (0.39) CCR1CCR5CCR8HDAC6NOS3

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
WO-2021007402-A1 PEPTIDE CONJUGATES OF MICROTUBULE-TARGETING AGENTS AS THERAPEUTICS Cybrexa 3, Inc. (US) 2021-01-14 WO disclosed
US-20190016856-A1 MULTI-ARMED POLYETHYLENE GLYCOL AND ACTIVE DERIVATIVE THEREOF JENKEM TECHNOLOGY CO., LTD. (BEIJING) (CN) 2019-01-17 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-20190016856-A1 MULTI-ARMED POLYETHYLENE GLYCOL AND ACTIVE DERIVATIVE THEREOF COG2, PTGER2, MGLL CCR1 3243/4885CCR5 3627/4885CCR8 2227/4885

“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.