SCHEMBL2616100

SCHEMBL2616100

Cc1cccc(SC(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NOTUM Q6P988 1/20 0.36
RAB9A P51151 4/20 0.34
GRM5 P41594 4/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HDAC6 Q9UBN7 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 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
SCHEMBL2131248 0.77 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL21244520 0.77 MAPT (0.33) MAPT
SCHEMBL11730085 0.77 CCR1 (0.52) CCR1CCR8NOS3NOS2LMNA
SCHEMBL2964870 0.77
SCHEMBL2609297 0.74 SLC6A4 (0.33)
SCHEMBL22561744 0.73
SCHEMBL2960932 0.72 CTSK (0.38)
SCHEMBL13199778 0.72
SCHEMBL11728692 0.71 CCR1 (0.46) CCR1CCR8NOS3NOS2LMNA
SCHEMBL22061574 0.70 MAPT (0.46) CCR1CCR8NOS3NOS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 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-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 CCR1 133/4885CCR8 151/4885NOS3 453/4885

“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.