SCHEMBL16737997

SCHEMBL16737997

Cc1cc(Br)ccc1CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.41
CCR3 P51677 1/20 0.40
PPARA Q07869 3/20 0.37
IL6ST P40189 1/20 0.36
FAAH O00519 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
BRD4 O60885 1/20 0.35
HDAC1 Q13547 2/20 0.35
IDH1 O75874 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARG P37231 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3308822 1.00 NAAA (0.41) NAAACCR3PPARAIL6STFAAH
SCHEMBL3308816 1.00 NAAA (0.41) NAAACCR3PPARAIL6STFAAH
SCHEMBL8164149 0.90 NAAA (0.40) NAAACCR3PPARAIL6STFAAH
SCHEMBL2553570 0.88 AKR1B1 (0.39) NAAAPPARACYP2C9NPC1
SCHEMBL2552573 0.88 AKR1B1 (0.39) NAAAPPARACYP2C9NPC1
SCHEMBL8164388 0.88 NAAA (0.38) NAAAPPARAIL6STFAAHCSNK2B
SCHEMBL15092485 0.88 AKR1B1 (0.39) NAAAPPARACYP2C9NPC1
SCHEMBL3305644 0.87 KDM4E (0.45) NAAACCR3CSNK2BCSNK2A1TDP1
SCHEMBL3305638 0.87 KDM4E (0.45) NAAACCR3CSNK2BCSNK2A1TDP1
SCHEMBL3658645 0.86 ALDH1A1 (0.46) NAAAIL6STFAAHMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 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-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 NAAA 2343/4885CCR3 4075/4885PPARA 3519/4885

“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.