SCHEMBL10313007

SCHEMBL10313007

CCC(C)n1cc(F)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.39
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PTGS2 P35354 2/20 0.36
TGFBR2 P37173 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
CREBBP Q92793 1/20 0.33
PDE10A Q9Y233 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
ACHE P22303 2/20 0.31
LMNA P02545 1/20 0.31
RGS4 P49798 1/20 0.31
RGS8 P57771 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL1106476 0.80 ADORA2A (0.51) TGFBR1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL19677340 0.79 ALDH1A1 (0.41) TGFBR1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL22655366 0.78 BMPR1B (0.39) TGFBR1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL21394881 0.70 LMNA (0.47) LMNA
SCHEMBL2834705 0.69 PLD1 (0.41)
SCHEMBL16190092 0.68 NPY5R (0.39) BMPR1BBMPR1AACVRL1ACVR1ADORA2A
SCHEMBL22757285 0.68 PTGS2 (0.36) TGFBR1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL506398 0.66 PTGS2 (0.35) PTGS2
SCHEMBL1158462 0.65
SCHEMBL24235951 0.64 SMN1; SMN2 (0.58) LMNA

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-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 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-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TGFBR1 2363/4885BMPR1B 1819/4885BMPR1A 2761/4885

“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.